N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine

C20H25ClFNO3 — CID 66529477

IUPACN-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cc(OC)c(OCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C20H25ClFNO3/c1-3-25-10-4-9-23-13-16-11-19(24-2)20(12-18(16)21)26-14-15-5-7-17(22)8-6-15/h5-8,11-12,23H,3-4,9-10,13-14H2,1-2H3
InChIKeyMFPFFUQEQYJHNH-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.58
Rot. Bonds11

About N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine

N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine (PubChem CID 66529477) has the molecular formula C20H25ClFNO3 and a molecular weight of 381.88 g/mol. Its IUPAC name is N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
PubChem CID66529477
Molecular FormulaC20H25ClFNO3
Molecular Weight381.88 g/mol
Exact Mass381.15
IUPAC NameN-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1cc(OC)c(OCc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C20H25ClFNO3/c1-3-25-10-4-9-23-13-16-11-19(24-2)20(12-18(16)21)26-14-15-5-7-17(22)8-6-15/h5-8,11-12,23H,3-4,9-10,13-14H2,1-2H3
InChIKeyMFPFFUQEQYJHNH-UHFFFAOYSA-N
XLogP4.58
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 66530663
N-[[2-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 66532143
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66529468
N-[(2-chloro-4,5-diethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 66532498
3-butoxy-N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]propan-1-amine
CID 66530665
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]octan-1-amine
CID 66529224
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]prop-2-en-1-amine
CID 66529341
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]heptan-1-amine
CID 66529148
N-[(2-chloro-5-fluorophenyl)methyl]-3-ethoxypropan-1-amine
CID 102615423
2-[2-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol
CID 66537571
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 66529991
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 66529982

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine (CID 66529477) is N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine is CCOCCCNCc1cc(OC)c(OCc2ccc(F)cc2)cc1Cl.
What is the InChIKey of N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine?
The InChIKey is MFPFFUQEQYJHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFNO3/c1-3-25-10-4-9-23-13-16-11-19(24-2)20(12-18(16)21)26-14-15-5-7-17(22)8-6-15/h5-8,11-12,23H,3-4,9-10,13-14H2,1-2H3.
What are the key properties of N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine?
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine has a molecular weight of 381.88 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 66529477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).