N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine

C17H19ClFNO — CID 107695985

IUPACN-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-2-8-20-11-14-10-16(19)6-7-17(14)21-12-13-4-3-5-15(18)9-13/h3-7,9-10,20H,2,8,11-12H2,1H3
InChIKeyQIQKBGAWVQRCEN-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.56
Rot. Bonds7

About N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine

N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine (PubChem CID 107695985) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
PubChem CID107695985
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC NameN-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(F)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClFNO/c1-2-8-20-11-14-10-16(19)6-7-17(14)21-12-13-4-3-5-15(18)9-13/h3-7,9-10,20H,2,8,11-12H2,1H3
InChIKeyQIQKBGAWVQRCEN-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
N-[[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63485880
3-[[4-fluoro-2-(propylaminomethyl)phenoxy]methyl]phenol
CID 107695916
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine
CID 4716941
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17291134
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
N-[[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847805
N-[[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 116689588
N-[[2-[(3,4-difluorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695461
N-[[2-[(5-ethylthiophen-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695898

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine (CID 107695985) is N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine is CCCNCc1cc(F)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
The InChIKey is QIQKBGAWVQRCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-2-8-20-11-14-10-16(19)6-7-17(14)21-12-13-4-3-5-15(18)9-13/h3-7,9-10,20H,2,8,11-12H2,1H3.
What are the key properties of N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine?
N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine has a molecular weight of 307.80 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]methyl]propan-1-amine is sourced from PubChem (CID 107695985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).