N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine

C18H21ClFNO2 — CID 66530787

IUPACN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCCOc1cc(Cl)c(CNCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H21ClFNO2/c1-3-8-23-18-10-16(19)14(9-17(18)22-2)12-21-11-13-4-6-15(20)7-5-13/h4-7,9-10,21H,3,8,11-12H2,1-2H3
InChIKeyMKOCAFRNXZYARP-UHFFFAOYSA-N
MW337.82 g/mol
LogP4.57
Rot. Bonds8

About N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine

N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine (PubChem CID 66530787) has the molecular formula C18H21ClFNO2 and a molecular weight of 337.82 g/mol. Its IUPAC name is N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
PubChem CID66530787
Molecular FormulaC18H21ClFNO2
Molecular Weight337.82 g/mol
Exact Mass337.12
IUPAC NameN-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
SMILESCCCOc1cc(Cl)c(CNCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H21ClFNO2/c1-3-8-23-18-10-16(19)14(9-17(18)22-2)12-21-11-13-4-6-15(20)7-5-13/h4-7,9-10,21H,3,8,11-12H2,1-2H3
InChIKeyMKOCAFRNXZYARP-UHFFFAOYSA-N
XLogP4.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.82
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 66530872
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 66530786
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-ethoxypropan-1-amine
CID 66529477
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]prop-2-en-1-amine
CID 66529341
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-1-amine
CID 66530045
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66529468
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-decoxyphenyl)methanamine
CID 54855675
N-[(3-bromo-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29222747
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29224737
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 43220838
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]propan-2-amine
CID 66529446
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine
CID 66529232

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine (CID 66530787) is N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine is CCCOc1cc(Cl)c(CNCc2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
The InChIKey is MKOCAFRNXZYARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO2/c1-3-8-23-18-10-16(19)14(9-17(18)22-2)12-21-11-13-4-6-15(20)7-5-13/h4-7,9-10,21H,3,8,11-12H2,1-2H3.
What are the key properties of N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine?
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine has a molecular weight of 337.82 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 66530787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).