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

C17H29NO — CID 103460837

IUPAC2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
SMILESCCCOc1ccc(C(C)NCC(C)(C)CC)cc1
InChIInChI=1S/C17H29NO/c1-6-12-19-16-10-8-15(9-11-16)14(3)18-13-17(4,5)7-2/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyYWUYVWIREYEROT-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.56
Rot. Bonds8

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

2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine (PubChem CID 103460837) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
PubChem CID103460837
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
SMILESCCCOc1ccc(C(C)NCC(C)(C)CC)cc1
InChIInChI=1S/C17H29NO/c1-6-12-19-16-10-8-15(9-11-16)14(3)18-13-17(4,5)7-2/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyYWUYVWIREYEROT-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine 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

2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 103460601
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
CID 102696755
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine
CID 113242961
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
N-ethyl-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587927
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
CID 98014048
N-ethyl-1-(4-hexoxyphenyl)ethanamine
CID 43279274

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine (CID 103460837) is 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine is CCCOc1ccc(C(C)NCC(C)(C)CC)cc1.
What is the InChIKey of 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine?
The InChIKey is YWUYVWIREYEROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-12-19-16-10-8-15(9-11-16)14(3)18-13-17(4,5)7-2/h8-11,14,18H,6-7,12-13H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine?
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.56, 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-propoxyphenyl)ethyl]butan-1-amine is sourced from PubChem (CID 103460837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).