N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine

C15H25NO — CID 43757590

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
SMILESCCCCCNC(C)Cc1ccccc1OC
InChIInChI=1S/C15H25NO/c1-4-5-8-11-16-13(2)12-14-9-6-7-10-15(14)17-3/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3
InChIKeyLQRAYLLYKUIWOT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.41
Rot. Bonds8

About N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine

N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine (PubChem CID 43757590) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
PubChem CID43757590
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
SMILESCCCCCNC(C)Cc1ccccc1OC
InChIInChI=1S/C15H25NO/c1-4-5-8-11-16-13(2)12-14-9-6-7-10-15(14)17-3/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3
InChIKeyLQRAYLLYKUIWOT-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol
CID 103905511
1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43768273
2-[1-(2-methoxyphenyl)propan-2-ylamino]-N-propylacetamide
CID 43777802
tert-butyl N-[3-[1-(2-methoxyphenyl)propan-2-ylamino]propyl]carbamate
CID 103781077
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 43767012
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N-[1-(2-methoxyphenyl)propan-2-yl]propane-1-sulfonamide
CID 47071877
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine (CID 43757590) is N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine is CCCCCNC(C)Cc1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine?
The InChIKey is LQRAYLLYKUIWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-8-11-16-13(2)12-14-9-6-7-10-15(14)17-3/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine?
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine is sourced from PubChem (CID 43757590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).