N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine

C14H21NO — CID 43190722

IUPACN-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCC1CC1)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO/c1-3-14(15-10-11-4-5-11)12-6-8-13(16-2)9-7-12/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyINONBWRAXPDZCJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.15
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine

N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 43190722) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
PubChem CID43190722
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCCC(NCC1CC1)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO/c1-3-14(15-10-11-4-5-11)12-6-8-13(16-2)9-7-12/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyINONBWRAXPDZCJ-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 60855495
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61208115
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
N-[(4-ethylcyclohexyl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 63451652
N-(cyclohexylmethyl)-1-[4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 54804343
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
1-(3,4-dimethoxyphenyl)-N-[(3-methylcyclopentyl)methyl]propan-1-amine
CID 107411682
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
1-[1-(4-methoxyphenyl)propylamino]propan-2-ol
CID 43499339
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine (CID 43190722) is N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine is CCC(NCC1CC1)c1ccc(OC)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is INONBWRAXPDZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-14(15-10-11-4-5-11)12-6-8-13(16-2)9-7-12/h6-9,11,14-15H,3-5,10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine?
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43190722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).