N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine

C14H24N2 — CID 43203953

IUPACN-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCC(C)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C14H24N2/c1-5-12(2)15-14(11-16(3)4)13-9-7-6-8-10-13/h6-10,12,14-15H,5,11H2,1-4H3
InChIKeyBZAZKHUPNWFTNV-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.68
Rot. Bonds6

About N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine

N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine (PubChem CID 43203953) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
PubChem CID43203953
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
SMILESCCC(C)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C14H24N2/c1-5-12(2)15-14(11-16(3)4)13-9-7-6-8-10-13/h6-10,12,14-15H,5,11H2,1-4H3
InChIKeyBZAZKHUPNWFTNV-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Analyze N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 115900683
N-heptan-3-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 63945877
N-[1-(4-iodophenyl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768392
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
N',N'-dimethyl-N-[1-(3-methylphenyl)ethyl]-1-phenylethane-1,2-diamine
CID 43768398
4-(butan-2-ylamino)-4-phenylbutanoic acid
CID 79694517
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
(2R)-2-(1-ethylsulfonylpropan-2-ylamino)-2-phenylethanol
CID 113350842
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43110308
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine (CID 43203953) is N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine is CCC(C)NC(CN(C)C)c1ccccc1.
What is the InChIKey of N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine?
The InChIKey is BZAZKHUPNWFTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12(2)15-14(11-16(3)4)13-9-7-6-8-10-13/h6-10,12,14-15H,5,11H2,1-4H3.
What are the key properties of N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine?
N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43203953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).