N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine

C16H25NO — CID 61065705

IUPACN-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)cc1)C1CC1C
InChIInChI=1S/C16H25NO/c1-4-9-17-16(15-10-12(15)2)11-13-5-7-14(18-3)8-6-13/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyNZAYBYGCQRXOHX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.26
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine

N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine (PubChem CID 61065705) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
PubChem CID61065705
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(OC)cc1)C1CC1C
InChIInChI=1S/C16H25NO/c1-4-9-17-16(15-10-12(15)2)11-13-5-7-14(18-3)8-6-13/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyNZAYBYGCQRXOHX-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 65421078
N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858
N-ethyl-2-(4-ethylphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 65422577
N-[2-(3-chlorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 55083879
N-[2-(3-fluorophenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 61064174
N-[2-(5-chloro-2-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 65421949
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
N-ethyl-2-(4-fluorophenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61066085
1-cyclobutyl-3-(4-methoxyphenyl)-N-propylpropan-1-amine
CID 65446483
N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 43496613
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
N-ethyl-2-(4-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66477674

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine (CID 61065705) is N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(OC)cc1)C1CC1C.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
The InChIKey is NZAYBYGCQRXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-9-17-16(15-10-12(15)2)11-13-5-7-14(18-3)8-6-13/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine?
N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1-(2-methylcyclopropyl)ethyl]propan-1-amine is sourced from PubChem (CID 61065705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).