N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine

C18H31N — CID 66258012

IUPACN,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
SMILESCCCC(C)C(NC)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H31N/c1-7-9-14(3)17(19-6)15-10-12-16(13-11-15)18(4,5)8-2/h10-14,17,19H,7-9H2,1-6H3
InChIKeyGDGAERGBRDHPHV-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.07
Rot. Bonds7

About N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine

N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine (PubChem CID 66258012) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
PubChem CID66258012
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
SMILESCCCC(C)C(NC)c1ccc(C(C)(C)CC)cc1
InChIInChI=1S/C18H31N/c1-7-9-14(3)17(19-6)15-10-12-16(13-11-15)18(4,5)8-2/h10-14,17,19H,7-9H2,1-6H3
InChIKeyGDGAERGBRDHPHV-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66259751
1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718735
N,2-dimethyl-1-naphthalen-2-ylpentan-1-amine
CID 115850950
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine
CID 66259547
N,2-dimethyl-1-(3-methylphenyl)pentan-1-amine
CID 115789704
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine?
The IUPAC name of N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine (CID 66258012) is N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine?
The canonical SMILES for N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine is CCCC(C)C(NC)c1ccc(C(C)(C)CC)cc1.
What is the InChIKey of N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine?
The InChIKey is GDGAERGBRDHPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-9-14(3)17(19-6)15-10-12-16(13-11-15)18(4,5)8-2/h10-14,17,19H,7-9H2,1-6H3.
What are the key properties of N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine?
N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine is sourced from PubChem (CID 66258012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).