N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine

C16H25N — CID 113404865

IUPACN-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCc1ccc(C2(CNC(C)C)CC2C)cc1C
InChIInChI=1S/C16H25N/c1-11(2)17-10-16(9-14(16)5)15-7-6-12(3)13(4)8-15/h6-8,11,14,17H,9-10H2,1-5H3
InChIKeyGCDZDXFCBXLWII-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.58
Rot. Bonds4

About N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine

N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine (PubChem CID 113404865) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
PubChem CID113404865
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCc1ccc(C2(CNC(C)C)CC2C)cc1C
InChIInChI=1S/C16H25N/c1-11(2)17-10-16(9-14(16)5)15-7-6-12(3)13(4)8-15/h6-8,11,14,17H,9-10H2,1-5H3
InChIKeyGCDZDXFCBXLWII-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 113404833
N-[[4-(3,4-dimethylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 55131240
N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 66423351
1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 83729543
N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194269
N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
CID 66431979
N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
CID 65010957
4-(1-ethyl-2-methylcyclopropyl)-2-fluoro-1-methylbenzene
CID 135292786
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclobutyl]methyl]propan-2-amine
CID 66432596
N-[[1-(2-methoxy-5-methylphenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79679445
N-[[2-[(3,4-dimethylphenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63522350

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine (CID 113404865) is N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine is Cc1ccc(C2(CNC(C)C)CC2C)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The InChIKey is GCDZDXFCBXLWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)17-10-16(9-14(16)5)15-7-6-12(3)13(4)8-15/h6-8,11,14,17H,9-10H2,1-5H3.
What are the key properties of N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 113404865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).