N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline

C21H29NO2 — CID 138518668

IUPACN-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
SMILESCCCCCCN(Cc1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C21H29NO2/c1-4-5-6-7-15-22(19-9-8-10-21(16-19)24-3)17-18-11-13-20(23-2)14-12-18/h8-14,16H,4-7,15,17H2,1-3H3
InChIKeyQIVDIQLKRGUWMI-UHFFFAOYSA-N
MW327.47 g/mol
LogP5.29
Rot. Bonds10

About N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline

N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline (PubChem CID 138518668) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound NameN-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
PubChem CID138518668
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC NameN-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
SMILESCCCCCCN(Cc1ccc(OC)cc1)c1cccc(OC)c1
InChIInChI=1S/C21H29NO2/c1-4-5-6-7-15-22(19-9-8-10-21(16-19)24-3)17-18-11-13-20(23-2)14-12-18/h8-14,16H,4-7,15,17H2,1-3H3
InChIKeyQIVDIQLKRGUWMI-UHFFFAOYSA-N
XLogP5.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methoxy-N-octylaniline
CID 138518679
N-[(4-fluorophenyl)methyl]-N-hexyl-4-methoxyaniline
CID 154621350
4-iodo-N-[(4-methoxyphenyl)methyl]-N-nonylaniline
CID 154621185
N-hexyl-4-iodo-N-[(4-methoxyphenyl)methyl]aniline
CID 138518673
4-methoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-N-octylaniline
CID 142550061
N-hexyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
CID 138347503
N-decyl-4-methoxy-N-(naphthalen-1-ylmethyl)aniline
CID 154621195
N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621321
3-(3-methoxy-N-pentylanilino)-2-methylpropanoic acid
CID 82318197
3-methoxy-N-[(4-methoxyphenyl)methyl]-N-pentan-2-ylaniline
CID 154621282
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline
CID 142914977

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline?
The IUPAC name of N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline (CID 138518668) is N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline.
What is the SMILES notation for N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline?
The canonical SMILES for N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline is CCCCCCN(Cc1ccc(OC)cc1)c1cccc(OC)c1.
What is the InChIKey of N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline?
The InChIKey is QIVDIQLKRGUWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-4-5-6-7-15-22(19-9-8-10-21(16-19)24-3)17-18-11-13-20(23-2)14-12-18/h8-14,16H,4-7,15,17H2,1-3H3.
What are the key properties of N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline?
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline has a molecular weight of 327.47 g/mol, XLogP of 5.29, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 138518668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).