4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane

C15H21N3 — CID 155059275

IUPAC4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
SMILESCc1cc(Cc2ccc(N)c(C)c2)ccc1N.N
InChIInChI=1S/C15H18N2.H3N/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;/h3-8H,9,16-17H2,1-2H3;1H3
InChIKeyLIDWIKMMYWJKDT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.22
Rot. Bonds2

About 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane

4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane (PubChem CID 155059275) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane.

Molecular Properties

Compound Name4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
PubChem CID155059275
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane
SMILESCc1cc(Cc2ccc(N)c(C)c2)ccc1N.N
InChIInChI=1S/C15H18N2.H3N/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;/h3-8H,9,16-17H2,1-2H3;1H3
InChIKeyLIDWIKMMYWJKDT-UHFFFAOYSA-N
XLogP3.22
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[14-[4-[(4-amino-3-methylphenyl)methyl]phenyl]tetradecyl]phenyl]methyl]-2-methylaniline
CID 22920596
4-[(4-amino-3-ethylphenyl)methyl]-2-methylaniline
CID 22061774
4-[[4-[16-[4-[(4-amino-3-methylphenyl)methyl]phenyl]hexadecyl]phenyl]methyl]-2-methylaniline
CID 22919944
4-[2-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]ethyl]-2-methylaniline
CID 68660073
4-(aminomethyl)-2-methylaniline
CID 18727732
4-(chloromethyl)-2-methylaniline
CID 15510059
4-[(2-fluorophenyl)methyl]-2-methylaniline
CID 134448573
4-[2-[4-[5-[4-[2-(4-amino-3-methylphenyl)ethyl]phenyl]pentyl]phenyl]ethyl]-2-methylaniline
CID 139903302
2-[4-[(4-amino-3-methylphenyl)methyl]phenoxy]acetic acid
CID 132531951
4-[[4-amino-3-[[3-amino-5-[(3-aminophenyl)methyl]phenyl]methyl]phenyl]methyl]-2-methylaniline
CID 130251815
4-(cyclopropylmethyl)-2-methylaniline
CID 131504223
4-heptyl-2-methylaniline
CID 23348805

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane?
The IUPAC name of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane (CID 155059275) is 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane.
What is the SMILES notation for 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane?
The canonical SMILES for 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane is Cc1cc(Cc2ccc(N)c(C)c2)ccc1N.N.
What is the InChIKey of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane?
The InChIKey is LIDWIKMMYWJKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.H3N/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;/h3-8H,9,16-17H2,1-2H3;1H3.
What are the key properties of 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane?
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane has a molecular weight of 243.35 g/mol, XLogP of 3.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline;azane is sourced from PubChem (CID 155059275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).