N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine

C14H24N2 — CID 62424581

IUPACN-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCCCN(C)C(CNC)c1ccccc1
InChIInChI=1S/C14H24N2/c1-4-5-11-16(3)14(12-15-2)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3
InChIKeyGJLWAKSPHCSCAJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.68
Rot. Bonds7

About N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine

N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 62424581) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID62424581
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCCCN(C)C(CNC)c1ccccc1
InChIInChI=1S/C14H24N2/c1-4-5-11-16(3)14(12-15-2)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3
InChIKeyGJLWAKSPHCSCAJ-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N-butyl-N'-tert-butyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424767
N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55070032
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209
N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine
CID 79858682
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62432915
N-methyl-1-phenyl-N-(3-phenylbutyl)pentan-1-amine
CID 173290484
N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62462915

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine (CID 62424581) is N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine is CCCCN(C)C(CNC)c1ccccc1.
What is the InChIKey of N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is GJLWAKSPHCSCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-5-11-16(3)14(12-15-2)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3.
What are the key properties of N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine?
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62424581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).