N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine

C14H20ClN — CID 62595313

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H20ClN/c1-11(2)16-10-14(8-3-9-14)12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyOQUPTYBXNPEZJS-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.76
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 62595313) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
PubChem CID62595313
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C14H20ClN/c1-11(2)16-10-14(8-3-9-14)12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3
InChIKeyOQUPTYBXNPEZJS-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 62594788
3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride
CID 69399241
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylmethanamine
CID 169436266
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596994
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
CID 65009555

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine (CID 62595313) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is OQUPTYBXNPEZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11(2)16-10-14(8-3-9-14)12-4-6-13(15)7-5-12/h4-7,11,16H,3,8-10H2,1-2H3.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 237.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 62595313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).