N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine

C16H25N — CID 43298332

IUPACN-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCC2CCC2)cc1
InChIInChI=1S/C16H25N/c1-12(2)15-7-9-16(10-8-15)13(3)17-11-14-5-4-6-14/h7-10,12-14,17H,4-6,11H2,1-3H3
InChIKeyQOFGINFACORVGM-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.26
Rot. Bonds5

About N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine

N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43298332) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43298332
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCC2CCC2)cc1
InChIInChI=1S/C16H25N/c1-12(2)15-7-9-16(10-8-15)13(3)17-11-14-5-4-6-14/h7-10,12-14,17H,4-6,11H2,1-3H3
InChIKeyQOFGINFACORVGM-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine 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-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 43298332) is N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NCC2CCC2)cc1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is QOFGINFACORVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)15-7-9-16(10-8-15)13(3)17-11-14-5-4-6-14/h7-10,12-14,17H,4-6,11H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 231.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43298332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).