1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine

C15H23N — CID 115929724

IUPAC1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
SMILESCc1ccccc1CC(C)NC1(C)CCC1
InChIInChI=1S/C15H23N/c1-12-7-4-5-8-14(12)11-13(2)16-15(3)9-6-10-15/h4-5,7-8,13,16H,6,9-11H2,1-3H3
InChIKeyITYMEGHNJZRWKH-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.46
Rot. Bonds4

About 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine

1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine (PubChem CID 115929724) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
PubChem CID115929724
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine
SMILESCc1ccccc1CC(C)NC1(C)CCC1
InChIInChI=1S/C15H23N/c1-12-7-4-5-8-14(12)11-13(2)16-15(3)9-6-10-15/h4-5,7-8,13,16H,6,9-11H2,1-3H3
InChIKeyITYMEGHNJZRWKH-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclopentan-1-amine
CID 80706411
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
2,6-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]cyclohexan-1-amine
CID 55191586
2,2-dimethyl-N-[1-(2-methylphenyl)propan-2-yl]propan-1-amine
CID 61325570
2,3-dimethyl-4-(2-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 81017881
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
1-N-[1-(2-methylphenyl)propan-2-yl]cyclobutane-1,3-diamine
CID 80560977
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
N-[1-(2-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60943738
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
1-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclopentan-1-amine
CID 115916005

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine (CID 115929724) is 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine is Cc1ccccc1CC(C)NC1(C)CCC1.
What is the InChIKey of 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine?
The InChIKey is ITYMEGHNJZRWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-7-4-5-8-14(12)11-13(2)16-15(3)9-6-10-15/h4-5,7-8,13,16H,6,9-11H2,1-3H3.
What are the key properties of 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine?
1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-methylphenyl)propan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 115929724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).