3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine

C18H24N2 — CID 115376642

IUPAC3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
SMILESCc1ccc(NCC(C)c2ccccc2)cc1N(C)C
InChIInChI=1S/C18H24N2/c1-14-10-11-17(12-18(14)20(3)4)19-13-15(2)16-8-6-5-7-9-16/h5-12,15,19H,13H2,1-4H3
InChIKeyMFEPGFRCOMKEBI-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.28
Rot. Bonds5

About 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine

3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine (PubChem CID 115376642) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
PubChem CID115376642
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine
SMILESCc1ccc(NCC(C)c2ccccc2)cc1N(C)C
InChIInChI=1S/C18H24N2/c1-14-10-11-17(12-18(14)20(3)4)19-13-15(2)16-8-6-5-7-9-16/h5-12,15,19H,13H2,1-4H3
InChIKeyMFEPGFRCOMKEBI-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-N-(2-phenylpropyl)aniline
CID 43102221
3-N,3-N,4-trimethyl-1-N-(2-methyl-1-phenylpropyl)benzene-1,3-diamine
CID 115377201
1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
CID 115378094
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784
3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
3-N,3-N,4-trimethyl-1-N-(3-phenylprop-2-ynyl)benzene-1,3-diamine
CID 115378046
2-[3-(dimethylamino)-4-methylanilino]-1-(4-fluorophenyl)ethanol
CID 115377997
2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
1-[3-(dimethylamino)-4-methylanilino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990318
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
3-bromo-4-iodo-N-(2-phenylpropyl)aniline
CID 114261902
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine (CID 115376642) is 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine is Cc1ccc(NCC(C)c2ccccc2)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine?
The InChIKey is MFEPGFRCOMKEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-10-11-17(12-18(14)20(3)4)19-13-15(2)16-8-6-5-7-9-16/h5-12,15,19H,13H2,1-4H3.
What are the key properties of 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine?
3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethyl-1-N-(2-phenylpropyl)benzene-1,3-diamine is sourced from PubChem (CID 115376642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).