N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine

C16H25N — CID 81015305

IUPACN-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
SMILESCCc1ccc(C(C)C(C)CNC2CC2)cc1
InChIInChI=1S/C16H25N/c1-4-14-5-7-15(8-6-14)13(3)12(2)11-17-16-9-10-16/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyJNJODYBTUCLLBG-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.74
Rot. Bonds6

About N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine

N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine (PubChem CID 81015305) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
PubChem CID81015305
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
SMILESCCc1ccc(C(C)C(C)CNC2CC2)cc1
InChIInChI=1S/C16H25N/c1-4-14-5-7-15(8-6-14)13(3)12(2)11-17-16-9-10-16/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyJNJODYBTUCLLBG-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 64663740
N-(2-methyl-3-thiophen-3-ylbutyl)cyclopropanamine
CID 81015095
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[(4-ethylphenyl)sulfanylmethyl]cyclopropanamine
CID 117032934
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304
4-[[2-(diethylamino)-2-(4-ethylphenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 122034736
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
4-(4-ethylphenyl)-3-methylpentan-1-amine
CID 83922583
N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
N-[3-methyl-2-(4-methylphenyl)pentyl]cyclopropanamine
CID 79443677

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine (CID 81015305) is N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine is CCc1ccc(C(C)C(C)CNC2CC2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine?
The InChIKey is JNJODYBTUCLLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-14-5-7-15(8-6-14)13(3)12(2)11-17-16-9-10-16/h5-8,12-13,16-17H,4,9-11H2,1-3H3.
What are the key properties of N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine?
N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine has a molecular weight of 231.38 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 81015305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).