N-[3-(4-methoxyphenyl)propyl]butan-2-amine

C14H23NO — CID 61023386

IUPACN-[3-(4-methoxyphenyl)propyl]butan-2-amine
SMILESCCC(C)NCCCc1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-4-12(2)15-11-5-6-13-7-9-14(16-3)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyVENLDEJXEFKQAF-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.02
Rot. Bonds7

About N-[3-(4-methoxyphenyl)propyl]butan-2-amine

N-[3-(4-methoxyphenyl)propyl]butan-2-amine (PubChem CID 61023386) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]butan-2-amine
PubChem CID61023386
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[3-(4-methoxyphenyl)propyl]butan-2-amine
SMILESCCC(C)NCCCc1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-4-12(2)15-11-5-6-13-7-9-14(16-3)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyVENLDEJXEFKQAF-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.02
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

N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
CID 110185121
N-[2-(4-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43178052
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-[2-(4-methoxyphenyl)ethyl]-5-methylheptan-3-amine
CID 43106121
N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
CID 113410167
N-[1-(4-methoxyphenyl)propan-2-yl]-4-methylpentan-1-amine
CID 54914161
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]butan-2-amine?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]butan-2-amine (CID 61023386) is N-[3-(4-methoxyphenyl)propyl]butan-2-amine.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]butan-2-amine?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]butan-2-amine is CCC(C)NCCCc1ccc(OC)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]butan-2-amine?
The InChIKey is VENLDEJXEFKQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12(2)15-11-5-6-13-7-9-14(16-3)10-8-13/h7-10,12,15H,4-6,11H2,1-3H3.
What are the key properties of N-[3-(4-methoxyphenyl)propyl]butan-2-amine?
N-[3-(4-methoxyphenyl)propyl]butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]butan-2-amine is sourced from PubChem (CID 61023386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).