4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline

C16H18ClNO — CID 69045313

IUPAC4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
SMILESCOc1ccc(CCCNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-19-16-10-4-13(5-11-16)3-2-12-18-15-8-6-14(17)7-9-15/h4-11,18H,2-3,12H2,1H3
InChIKeyUAMOJMGZAJBHPF-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.39
Rot. Bonds6

About 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline

4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline (PubChem CID 69045313) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
PubChem CID69045313
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline
SMILESCOc1ccc(CCCNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-19-16-10-4-13(5-11-16)3-2-12-18-15-8-6-14(17)7-9-15/h4-11,18H,2-3,12H2,1H3
InChIKeyUAMOJMGZAJBHPF-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.39
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

2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine
CID 133360019
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
[4-[3-(4-chlorophenyl)propylamino]phenyl] pent-2-ynoate
CID 70591220
methyl 3-[4-[3-(4-chloroanilino)propoxy]phenyl]propanoate
CID 14882869
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N-[2-(4-chlorophenyl)ethyl]-4-phenoxyaniline
CID 54796770
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-3-methoxybenzamide
CID 112984117
N-(4-chloro-4,4-difluorobutyl)-4-methoxyaniline
CID 67832517

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline?
The IUPAC name of 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline (CID 69045313) is 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline.
What is the SMILES notation for 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline?
The canonical SMILES for 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline is COc1ccc(CCCNc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline?
The InChIKey is UAMOJMGZAJBHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-19-16-10-4-13(5-11-16)3-2-12-18-15-8-6-14(17)7-9-15/h4-11,18H,2-3,12H2,1H3.
What are the key properties of 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline?
4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline has a molecular weight of 275.78 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(4-methoxyphenyl)propyl]aniline is sourced from PubChem (CID 69045313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).