2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine

C18H31NO — CID 103460601

IUPAC2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
SMILESCCC(C)(C)CNC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-18(5,6)13-19-15(4)16-8-10-17(11-9-16)20-12-14(2)3/h8-11,14-15,19H,7,12-13H2,1-6H3
InChIKeyRXUMNXXVYVXHGI-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.81
Rot. Bonds8

About 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine

2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine (PubChem CID 103460601) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
PubChem CID103460601
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
SMILESCCC(C)(C)CNC(C)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-18(5,6)13-19-15(4)16-8-10-17(11-9-16)20-12-14(2)3/h8-11,14-15,19H,7,12-13H2,1-6H3
InChIKeyRXUMNXXVYVXHGI-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
CID 43105137
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 64570267
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
CID 63456175
3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanenitrile
CID 43207709
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
2,2-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 103460607
N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide
CID 115902066
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine (CID 103460601) is 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine is CCC(C)(C)CNC(C)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine?
The InChIKey is RXUMNXXVYVXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-18(5,6)13-19-15(4)16-8-10-17(11-9-16)20-12-14(2)3/h8-11,14-15,19H,7,12-13H2,1-6H3.
What are the key properties of 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine?
2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine is sourced from PubChem (CID 103460601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).