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

C16H27NO — CID 113242961

IUPAC2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine
SMILESCCCOc1ccc(CNCC(C)(C)CC)cc1
InChIInChI=1S/C16H27NO/c1-5-11-18-15-9-7-14(8-10-15)12-17-13-16(3,4)6-2/h7-10,17H,5-6,11-13H2,1-4H3
InChIKeyUAAPDZIFTNPMMO-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.00
Rot. Bonds8

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

2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine (PubChem CID 113242961) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine
PubChem CID113242961
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine
SMILESCCCOc1ccc(CNCC(C)(C)CC)cc1
InChIInChI=1S/C16H27NO/c1-5-11-18-15-9-7-14(8-10-15)12-17-13-16(3,4)6-2/h7-10,17H,5-6,11-13H2,1-4H3
InChIKeyUAAPDZIFTNPMMO-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]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-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 103698439
N-[(4-hexoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 54805408
3-[[(4-pentoxyphenyl)methylamino]methyl]pentan-3-ol
CID 62059388
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
(4-propoxyphenyl)methylhydrazine
CID 53401453
2,2-dimethyl-N-[1-(4-propoxyphenyl)ethyl]butan-1-amine
CID 103460837
N-[[4-(3,3-dimethylpentoxy)phenyl]methyl]hydroxylamine
CID 22368676
ethane;N-[(4-ethoxyphenyl)methyl]-2,2,4,4,5-pentamethylhexan-1-amine
CID 164535785
5-[(4-ethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897750
2-ethoxy-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 115655586
3-[(4-ethoxyphenyl)methylamino]-2,2-dimethylpropanoic acid
CID 115136553
N,2-dimethyl-1-(4-propoxyphenyl)propan-2-amine
CID 95444836

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine (CID 113242961) is 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine is CCCOc1ccc(CNCC(C)(C)CC)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine?
The InChIKey is UAAPDZIFTNPMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-11-18-15-9-7-14(8-10-15)12-17-13-16(3,4)6-2/h7-10,17H,5-6,11-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine?
2,2-dimethyl-N-[(4-propoxyphenyl)methyl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.00, 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-[(4-propoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 113242961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).