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

C16H25N — CID 64663740

IUPACN-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
SMILESCCc1ccc(CCC(C)CNC2CC2)cc1
InChIInChI=1S/C16H25N/c1-3-14-6-8-15(9-7-14)5-4-13(2)12-17-16-10-11-16/h6-9,13,16-17H,3-5,10-12H2,1-2H3
InChIKeyUXFCJTMRJAODMY-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.57
Rot. Bonds7

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

N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine (PubChem CID 64663740) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
PubChem CID64663740
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
SMILESCCc1ccc(CCC(C)CNC2CC2)cc1
InChIInChI=1S/C16H25N/c1-3-14-6-8-15(9-7-14)5-4-13(2)12-17-16-10-11-16/h6-9,13,16-17H,3-5,10-12H2,1-2H3
InChIKeyUXFCJTMRJAODMY-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 81015305
N-[4-(2,6-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 64663727
N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479
N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine
CID 64663737
N-[3-methyl-5-(4-propan-2-yloxyphenyl)pentyl]cyclopropanamine
CID 65304300
5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304387
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
N-[3-(2-ethylphenoxy)-2-methylpropyl]cyclopropanamine
CID 62484643
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine (CID 64663740) is N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine is CCc1ccc(CCC(C)CNC2CC2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine?
The InChIKey is UXFCJTMRJAODMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-14-6-8-15(9-7-14)5-4-13(2)12-17-16-10-11-16/h6-9,13,16-17H,3-5,10-12H2,1-2H3.
What are the key properties of N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine?
N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine has a molecular weight of 231.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 64663740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).