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

C15H22ClN — CID 62596044

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClN/c1-12(2)10-17-11-15(8-3-9-15)13-4-6-14(16)7-5-13/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyFPPLTNBKGVJJPH-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.01
Rot. Bonds5

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

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 62596044) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID62596044
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClN/c1-12(2)10-17-11-15(8-3-9-15)13-4-6-14(16)7-5-13/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyFPPLTNBKGVJJPH-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55195361
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55091372
3-[1-(4-chlorophenyl)cyclobutyl]-N,2-dimethylpropan-1-amine;hydrochloride
CID 69399241
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-amine
CID 13083334
3-[1-(4-chlorophenyl)cyclobutyl]-2-methylpropan-1-amine
CID 174659532
2-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]propan-1-amine
CID 80522632
2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-1-amine
CID 65008179
2-[[1-(4-chlorophenyl)cyclobutyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111098220

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine (CID 62596044) is N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is FPPLTNBKGVJJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-12(2)10-17-11-15(8-3-9-15)13-4-6-14(16)7-5-13/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.01, 5 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]-2-methylpropan-1-amine is sourced from PubChem (CID 62596044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).