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

C16H25N — CID 43495555

IUPACN-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)C1CCC1
InChIInChI=1S/C16H25N/c1-4-10-17-16(14-6-5-7-14)15-9-8-12(2)11-13(15)3/h8-9,11,14,16-17H,4-7,10H2,1-3H3
InChIKeyISNFTYYWQANIOH-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.14
Rot. Bonds5

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

N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine (PubChem CID 43495555) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
PubChem CID43495555
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)cc1C)C1CCC1
InChIInChI=1S/C16H25N/c1-4-10-17-16(14-6-5-7-14)15-9-8-12(2)11-13(15)3/h8-9,11,14,16-17H,4-7,10H2,1-3H3
InChIKeyISNFTYYWQANIOH-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[(2,4-dimethylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415003
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[(4-bromo-2-methylphenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992020
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
N-[2-bicyclo[2.2.1]heptanyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63502670
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[cyclobutyl-(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496319
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[(2-chloro-4,5-dimethylphenyl)-cycloheptylmethyl]propan-1-amine
CID 115484218

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine (CID 43495555) is N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(C)cc1C)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine?
The InChIKey is ISNFTYYWQANIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-10-17-16(14-6-5-7-14)15-9-8-12(2)11-13(15)3/h8-9,11,14,16-17H,4-7,10H2,1-3H3.
What are the key properties of N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine?
N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(2,4-dimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).