N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

C16H25N — CID 62712268

IUPACN-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C2CC2CNCC(C)C)cc1
InChIInChI=1S/C16H25N/c1-4-13-5-7-14(8-6-13)16-9-15(16)11-17-10-12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyXBFIJQDBJRJVJS-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.60
Rot. Bonds6

About N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 62712268) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID62712268
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCCc1ccc(C2CC2CNCC(C)C)cc1
InChIInChI=1S/C16H25N/c1-4-13-5-7-14(8-6-13)16-9-15(16)11-17-10-12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyXBFIJQDBJRJVJS-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024275
N-[[2-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714240
N-[[2-(4-ethoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712637
2-methyl-N-[[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]propan-1-amine
CID 62713530
2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 55210303
2-methyl-N-[(2-thiophen-3-ylcyclopropyl)methyl]propan-1-amine
CID 62712093
N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713176
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
2-methyl-N-[(2-quinolin-6-ylcyclopropyl)methyl]propan-1-amine
CID 63971053
2-methyl-N-[[2-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 81022290
2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine
CID 62712993

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 62712268) is N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is CCc1ccc(C2CC2CNCC(C)C)cc1.
What is the InChIKey of N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is XBFIJQDBJRJVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-13-5-7-14(8-6-13)16-9-15(16)11-17-10-12(2)3/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62712268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).