3-(4-methoxy-3-propylphenyl)propan-1-amine

C13H21NO — CID 123256997

IUPAC3-(4-methoxy-3-propylphenyl)propan-1-amine
SMILESCCCc1cc(CCCN)ccc1OC
InChIInChI=1S/C13H21NO/c1-3-5-12-10-11(6-4-9-14)7-8-13(12)15-2/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyKZSUWLUWEZLKHM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.54
Rot. Bonds6

About 3-(4-methoxy-3-propylphenyl)propan-1-amine

3-(4-methoxy-3-propylphenyl)propan-1-amine (PubChem CID 123256997) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(4-methoxy-3-propylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-3-propylphenyl)propan-1-amine
PubChem CID123256997
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(4-methoxy-3-propylphenyl)propan-1-amine
SMILESCCCc1cc(CCCN)ccc1OC
InChIInChI=1S/C13H21NO/c1-3-5-12-10-11(6-4-9-14)7-8-13(12)15-2/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyKZSUWLUWEZLKHM-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propan-1-amine
CID 165355065
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717
1-methoxy-2-(4-methoxy-3-propylphenyl)-4-propylbenzene
CID 45267390
3-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]propan-1-amine
CID 170867990
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-propylphenyl)propan-1-amine?
The IUPAC name of 3-(4-methoxy-3-propylphenyl)propan-1-amine (CID 123256997) is 3-(4-methoxy-3-propylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxy-3-propylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-methoxy-3-propylphenyl)propan-1-amine is CCCc1cc(CCCN)ccc1OC.
What is the InChIKey of 3-(4-methoxy-3-propylphenyl)propan-1-amine?
The InChIKey is KZSUWLUWEZLKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-12-10-11(6-4-9-14)7-8-13(12)15-2/h7-8,10H,3-6,9,14H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-propylphenyl)propan-1-amine?
3-(4-methoxy-3-propylphenyl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-propylphenyl)propan-1-amine is sourced from PubChem (CID 123256997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).