4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine

C18H24N2 — CID 155029957

IUPAC4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine
SMILESCNC(C)CC(N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-14(20-2)12-18(19)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18,20H,12-13,19H2,1-2H3
InChIKeyLQHBKQBUVXDGRC-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.22
Rot. Bonds6

About 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine

4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine (PubChem CID 155029957) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine
PubChem CID155029957
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine
SMILESCNC(C)CC(N)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-14(20-2)12-18(19)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18,20H,12-13,19H2,1-2H3
InChIKeyLQHBKQBUVXDGRC-UHFFFAOYSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
1-(4-phenylphenyl)butan-2-amine
CID 23591877
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136
ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
N-methyl-1-phenylpropan-2-amine
CID 118309477
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid
CID 59318450
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
(2R)-1-(4-phenylphenyl)propan-2-ol
CID 92983269
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine?
The IUPAC name of 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine (CID 155029957) is 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine.
What is the SMILES notation for 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine?
The canonical SMILES for 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine is CNC(C)CC(N)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine?
The InChIKey is LQHBKQBUVXDGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(20-2)12-18(19)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18,20H,12-13,19H2,1-2H3.
What are the key properties of 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine?
4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-1-(4-phenylphenyl)pentane-2,4-diamine is sourced from PubChem (CID 155029957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).