N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine

C16H25NO — CID 81023036

IUPACN-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCOc1cccc(CC(C)(C)CCNC2CC2)c1
InChIInChI=1S/C16H25NO/c1-16(2,9-10-17-14-7-8-14)12-13-5-4-6-15(11-13)18-3/h4-6,11,14,17H,7-10,12H2,1-3H3
InChIKeyLLXZDXVEOZBIQR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.41
Rot. Bonds7

About N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine

N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 81023036) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
PubChem CID81023036
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCOc1cccc(CC(C)(C)CCNC2CC2)c1
InChIInChI=1S/C16H25NO/c1-16(2,9-10-17-14-7-8-14)12-13-5-4-6-15(11-13)18-3/h4-6,11,14,17H,7-10,12H2,1-3H3
InChIKeyLLXZDXVEOZBIQR-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine 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

N-[3-(3-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81022096
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N'-cyclopropyl-N-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 113410343
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
3-(3-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 62724321
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
N-[(3-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707677
N-[2-[(3-methoxyphenyl)methoxy]ethyl]cyclohexanamine
CID 62565943
N-[2-(cycloheptylamino)ethyl]-2-(3-methoxyphenyl)acetamide
CID 119619150
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
3-(3-methoxyphenyl)-2,2-dimethylpropane-1-sulfonyl fluoride
CID 115048618
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine (CID 81023036) is N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine is COc1cccc(CC(C)(C)CCNC2CC2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is LLXZDXVEOZBIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,9-10-17-14-7-8-14)12-13-5-4-6-15(11-13)18-3/h4-6,11,14,17H,7-10,12H2,1-3H3.
What are the key properties of N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine?
N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 247.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81023036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).