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

C16H24ClN — CID 65196271

IUPACN-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H24ClN/c1-13(2)11-18-12-16(8-3-9-16)10-14-4-6-15(17)7-5-14/h4-7,13,18H,3,8-12H2,1-2H3
InChIKeyOLJODNQQFYVUMU-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.30
Rot. Bonds6

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

N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 65196271) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID65196271
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2ccc(Cl)cc2)CCC1
InChIInChI=1S/C16H24ClN/c1-13(2)11-18-12-16(8-3-9-16)10-14-4-6-15(17)7-5-14/h4-7,13,18H,3,8-12H2,1-2H3
InChIKeyOLJODNQQFYVUMU-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196016
2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62905753
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618
N-[[1-[(3-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196718
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63508719
N-[[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106869510
N-methyl-1-[1-[[4-(2-methylpropyl)phenyl]methyl]cyclobutyl]methanamine
CID 116929382
N-[[1-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 63507856
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-chlorobenzene
CID 66049339
N-[[1-[(3-bromo-5-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 79697362

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine (CID 65196271) is N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OLJODNQQFYVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-13(2)11-18-12-16(8-3-9-16)10-14-4-6-15(17)7-5-14/h4-7,13,18H,3,8-12H2,1-2H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65196271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).