N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine

C18H20ClN — CID 43633160

IUPACN-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccccc3Cl)C2)cc1
InChIInChI=1S/C18H20ClN/c1-13-6-8-14(9-7-13)16-10-17(11-16)20-12-15-4-2-3-5-18(15)19/h2-9,16-17,20H,10-12H2,1H3
InChIKeyKBPPGGUPYVQOIU-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.68
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine

N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine (PubChem CID 43633160) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
PubChem CID43633160
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
SMILESCc1ccc(C2CC(NCc3ccccc3Cl)C2)cc1
InChIInChI=1S/C18H20ClN/c1-13-6-8-14(9-7-13)16-10-17(11-16)20-12-15-4-2-3-5-18(15)19/h2-9,16-17,20H,10-12H2,1H3
InChIKeyKBPPGGUPYVQOIU-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine
CID 63454059
3-(4-methylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 114955168
N-[(2-chlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397679
N-butyl-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633076
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 55174100
N-[1-(2-chlorophenyl)propan-2-yl]-3-phenylcyclobutan-1-amine
CID 43677527
3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 60975909
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895177
N-(3-methylbutyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43633229
(2S)-1-[[3-(4-methylphenyl)cyclobutyl]amino]propan-2-ol
CID 93252952
N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine
CID 64595616

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine (CID 43633160) is N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine is Cc1ccc(C2CC(NCc3ccccc3Cl)C2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
The InChIKey is KBPPGGUPYVQOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13-6-8-14(9-7-13)16-10-17(11-16)20-12-15-4-2-3-5-18(15)19/h2-9,16-17,20H,10-12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine?
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine has a molecular weight of 285.82 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43633160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).