2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine

C19H33N — CID 105050880

IUPAC2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(CC(C)C)c1)C(C)(C)CC
InChIInChI=1S/C19H33N/c1-7-12-20-18(19(5,6)8-2)17-11-9-10-16(14-17)13-15(3)4/h9-11,14-15,18,20H,7-8,12-13H2,1-6H3
InChIKeyIHEFUCPMTCMNLC-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.36
Rot. Bonds8

About 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine

2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine (PubChem CID 105050880) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
PubChem CID105050880
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
SMILESCCCNC(c1cccc(CC(C)C)c1)C(C)(C)CC
InChIInChI=1S/C19H33N/c1-7-12-20-18(19(5,6)8-2)17-11-9-10-16(14-17)13-15(3)4/h9-11,14-15,18,20H,7-8,12-13H2,1-6H3
InChIKeyIHEFUCPMTCMNLC-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-ethyl-2-N,2-N,2-trimethyl-1-[3-(2-methylpropyl)phenyl]butane-1,2-diamine
CID 116544670
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116544588
2,2-dimethyl-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 63504197
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116759318
4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
CID 105188062
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
2,2-dimethyl-N-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 63502995
N-ethyl-3,4,4-trimethyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050615
5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
N-[[3-(2-methylpropyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105188104

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine (CID 105050880) is 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine is CCCNC(c1cccc(CC(C)C)c1)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine?
The InChIKey is IHEFUCPMTCMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-7-12-20-18(19(5,6)8-2)17-11-9-10-16(14-17)13-15(3)4/h9-11,14-15,18,20H,7-8,12-13H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine?
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine is sourced from PubChem (CID 105050880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).