1-(2-methoxy-5-propylphenyl)butan-2-amine

C14H23NO — CID 170890563

IUPAC1-(2-methoxy-5-propylphenyl)butan-2-amine
SMILESCCCc1ccc(OC)c(CC(N)CC)c1
InChIInChI=1S/C14H23NO/c1-4-6-11-7-8-14(16-3)12(9-11)10-13(15)5-2/h7-9,13H,4-6,10,15H2,1-3H3
InChIKeyIDJUPVOMDRDROP-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds6

About 1-(2-methoxy-5-propylphenyl)butan-2-amine

1-(2-methoxy-5-propylphenyl)butan-2-amine (PubChem CID 170890563) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-propylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-propylphenyl)butan-2-amine
PubChem CID170890563
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-methoxy-5-propylphenyl)butan-2-amine
SMILESCCCc1ccc(OC)c(CC(N)CC)c1
InChIInChI=1S/C14H23NO/c1-4-6-11-7-8-14(16-3)12(9-11)10-13(15)5-2/h7-9,13H,4-6,10,15H2,1-3H3
InChIKeyIDJUPVOMDRDROP-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[2-(cyclopropylmethoxy)ethyl]-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890268
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-(4-ethoxy-3-propylphenyl)butan-2-amine;hydrochloride
CID 170890481
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
CID 170888861
1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
1-(2-methoxy-5-pentan-3-ylphenyl)propan-2-amine
CID 117343720
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propylphenyl)butan-2-amine?
The IUPAC name of 1-(2-methoxy-5-propylphenyl)butan-2-amine (CID 170890563) is 1-(2-methoxy-5-propylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-propylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-propylphenyl)butan-2-amine is CCCc1ccc(OC)c(CC(N)CC)c1.
What is the InChIKey of 1-(2-methoxy-5-propylphenyl)butan-2-amine?
The InChIKey is IDJUPVOMDRDROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-11-7-8-14(16-3)12(9-11)10-13(15)5-2/h7-9,13H,4-6,10,15H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-propylphenyl)butan-2-amine?
1-(2-methoxy-5-propylphenyl)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propylphenyl)butan-2-amine is sourced from PubChem (CID 170890563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).