N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine

C16H25N — CID 43496613

IUPACN-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C1CC1C
InChIInChI=1S/C16H25N/c1-4-10-17-16(15-11-12(15)3)14-8-6-13(5-2)7-9-14/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyCEGNEJGNCZWAEO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.95
Rot. Bonds6

About N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine

N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine (PubChem CID 43496613) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
PubChem CID43496613
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C1CC1C
InChIInChI=1S/C16H25N/c1-4-10-17-16(15-11-12(15)3)14-8-6-13(5-2)7-9-14/h6-9,12,15-17H,4-5,10-11H2,1-3H3
InChIKeyCEGNEJGNCZWAEO-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methylcyclopropyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625497
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156334
N-[(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 65297277
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 107289047
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085
N-ethyl-2-(4-ethylphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 65422577
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61065705

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine (CID 43496613) is N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine is CCCNC(c1ccc(CC)cc1)C1CC1C.
What is the InChIKey of N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
The InChIKey is CEGNEJGNCZWAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-10-17-16(15-11-12(15)3)14-8-6-13(5-2)7-9-14/h6-9,12,15-17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine?
N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 43496613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).