N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine

C16H27NO — CID 114011795

IUPACN-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
SMILESCCOC(C)CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-5-18-14(4)11-17-12-16(13(2)3)15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3
InChIKeyMGKJUYUAWYZDHN-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.44
Rot. Bonds8

About N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine

N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine (PubChem CID 114011795) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
PubChem CID114011795
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
SMILESCCOC(C)CNCC(c1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-5-18-14(4)11-17-12-16(13(2)3)15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3
InChIKeyMGKJUYUAWYZDHN-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876225
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
CID 107875745
3-methyl-N-(2-phenoxyethyl)-2-phenylbutan-1-amine
CID 107876087
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
N-(2,2-diethoxyethyl)-2,2-diphenylethanamine
CID 70269046
N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine
CID 113303770
4-methyl-N-(3-methyl-2-phenylbutyl)pentan-1-amine
CID 107876045
N-ethyl-3-methyl-2-(3-methylphenyl)butan-1-amine
CID 66244260
3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
CID 107876435

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine (CID 114011795) is N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine is CCOC(C)CNCC(c1ccccc1)C(C)C.
What is the InChIKey of N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine?
The InChIKey is MGKJUYUAWYZDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-18-14(4)11-17-12-16(13(2)3)15-9-7-6-8-10-15/h6-10,13-14,16-17H,5,11-12H2,1-4H3.
What are the key properties of N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine?
N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 114011795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).