[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine

C19H26N2 — CID 60921319

IUPAC[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCC(C)c1ccc(CN(C)Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)19-10-8-18(9-11-19)14-21(3)13-17-6-4-16(12-20)5-7-17/h4-11,15H,12-14,20H2,1-3H3
InChIKeyPRQWFQHNTJEKMQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.90
Rot. Bonds6

About [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine

[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine (PubChem CID 60921319) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
PubChem CID60921319
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
SMILESCC(C)c1ccc(CN(C)Cc2ccc(CN)cc2)cc1
InChIInChI=1S/C19H26N2/c1-15(2)19-10-8-18(9-11-19)14-21(3)13-17-6-4-16(12-20)5-7-17/h4-11,15H,12-14,20H2,1-3H3
InChIKeyPRQWFQHNTJEKMQ-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propan-2-ol
CID 115121461
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 74239331
N-[[4-(aminomethyl)phenyl]methyl]-1-(4-chlorophenyl)-N-methylethanamine
CID 62978179
3-chloro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 115215689
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylethanamine
CID 80698741
N-[[4-(aminomethyl)phenyl]methyl]-N-methylpropan-1-amine
CID 43270951
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanenitrile
CID 43084546
N,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]pent-2-yn-1-amine
CID 171598906
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309

Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine?
The IUPAC name of [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine (CID 60921319) is [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine is CC(C)c1ccc(CN(C)Cc2ccc(CN)cc2)cc1.
What is the InChIKey of [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine?
The InChIKey is PRQWFQHNTJEKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(2)19-10-8-18(9-11-19)14-21(3)13-17-6-4-16(12-20)5-7-17/h4-11,15H,12-14,20H2,1-3H3.
What are the key properties of [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine?
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine has a molecular weight of 282.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine is sourced from PubChem (CID 60921319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).