N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine

C18H24N2 — CID 62263027

IUPACN'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCN(Cc1ccccc1)CC(C)(CN)c1ccccc1
InChIInChI=1S/C18H24N2/c1-18(14-19,17-11-7-4-8-12-17)15-20(2)13-16-9-5-3-6-10-16/h3-12H,13-15,19H2,1-2H3
InChIKeyULDUEHVUPNEJHN-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.04
Rot. Bonds6

About N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine

N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine (PubChem CID 62263027) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
PubChem CID62263027
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
SMILESCN(Cc1ccccc1)CC(C)(CN)c1ccccc1
InChIInChI=1S/C18H24N2/c1-18(14-19,17-11-7-4-8-12-17)15-20(2)13-16-9-5-3-6-10-16/h3-12H,13-15,19H2,1-2H3
InChIKeyULDUEHVUPNEJHN-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
2-[(3-amino-2-methyl-2-phenylpropyl)-methylamino]ethanol
CID 62256882
N',2-dimethyl-N'-[(2-methylfuran-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62260747
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropane-1,3-diamine
CID 63274527
N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62260652
N-benzyl-N,2,2-trimethylbut-3-en-1-amine
CID 101149207
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
2-methyl-3-[methyl(2-phenylethyl)amino]-2-phenylpropan-1-ol
CID 65485963
N,N-dibenzyl-1-phenylmethanamine;2-methylpropane-1,2-diamine
CID 174802109

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine (CID 62263027) is N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine is CN(Cc1ccccc1)CC(C)(CN)c1ccccc1.
What is the InChIKey of N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine?
The InChIKey is ULDUEHVUPNEJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(14-19,17-11-7-4-8-12-17)15-20(2)13-16-9-5-3-6-10-16/h3-12H,13-15,19H2,1-2H3.
What are the key properties of N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine?
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 62263027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).