4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline

C18H24N2O — CID 43459594

IUPAC4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(N)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C18H24N2O/c1-3-12-20(13-15-4-8-17(19)9-5-15)14-16-6-10-18(21-2)11-7-16/h4-11H,3,12-14,19H2,1-2H3
InChIKeyLDQXJOSICNMNCW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.69
Rot. Bonds7

About 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline

4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline (PubChem CID 43459594) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline.

Molecular Properties

Compound Name4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
PubChem CID43459594
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
SMILESCCCN(Cc1ccc(N)cc1)Cc1ccc(OC)cc1
InChIInChI=1S/C18H24N2O/c1-3-12-20(13-15-4-8-17(19)9-5-15)14-16-6-10-18(21-2)11-7-16/h4-11H,3,12-14,19H2,1-2H3
InChIKeyLDQXJOSICNMNCW-UHFFFAOYSA-N
XLogP3.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline
CID 61029995
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
N-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]propan-1-amine
CID 783025
ethane;4-methoxyaniline
CID 144603339
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
4-[[(3-methoxy-3-methylbutyl)-propylamino]methyl]aniline
CID 103034086
4-[[hexyl(propyl)amino]methyl]aniline
CID 43383965
4-[[(3,4-difluorophenyl)methyl-propylamino]methyl]aniline
CID 82917982
4-[[(6-methyl-2-pyridinyl)methyl-propylamino]methyl]aniline
CID 79267111
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
CID 145450258

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline?
The IUPAC name of 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline (CID 43459594) is 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline.
What is the SMILES notation for 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline?
The canonical SMILES for 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline is CCCN(Cc1ccc(N)cc1)Cc1ccc(OC)cc1.
What is the InChIKey of 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline?
The InChIKey is LDQXJOSICNMNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-12-20(13-15-4-8-17(19)9-5-15)14-16-6-10-18(21-2)11-7-16/h4-11H,3,12-14,19H2,1-2H3.
What are the key properties of 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline?
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline is sourced from PubChem (CID 43459594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).