3-[4-(2-methoxypropyl)phenyl]propan-1-amine

C13H21NO — CID 117296745

IUPAC3-[4-(2-methoxypropyl)phenyl]propan-1-amine
SMILESCOC(C)Cc1ccc(CCCN)cc1
InChIInChI=1S/C13H21NO/c1-11(15-2)10-13-7-5-12(6-8-13)4-3-9-14/h5-8,11H,3-4,9-10,14H2,1-2H3
InChIKeyUKLQEKOBRSCPQG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds6

About 3-[4-(2-methoxypropyl)phenyl]propan-1-amine

3-[4-(2-methoxypropyl)phenyl]propan-1-amine (PubChem CID 117296745) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[4-(2-methoxypropyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxypropyl)phenyl]propan-1-amine
PubChem CID117296745
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[4-(2-methoxypropyl)phenyl]propan-1-amine
SMILESCOC(C)Cc1ccc(CCCN)cc1
InChIInChI=1S/C13H21NO/c1-11(15-2)10-13-7-5-12(6-8-13)4-3-9-14/h5-8,11H,3-4,9-10,14H2,1-2H3
InChIKeyUKLQEKOBRSCPQG-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-methoxypropyl)phenyl]propan-1-amine
CID 115113273
2-[4-(3-methoxybutyl)phenyl]ethanamine
CID 117110832
4-[4-[(2R)-2-aminopropyl]phenyl]butan-1-amine
CID 57249911
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433
3-[4-(1-fluoroethyl)phenyl]propan-1-amine
CID 84658143
3-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]propan-1-amine
CID 84737494
benzene;3-phenylpropan-1-amine
CID 174865683
4-(3-aminopropyl)benzaldehyde;propan-2-ol
CID 19825248
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxypropyl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(2-methoxypropyl)phenyl]propan-1-amine (CID 117296745) is 3-[4-(2-methoxypropyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxypropyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(2-methoxypropyl)phenyl]propan-1-amine is COC(C)Cc1ccc(CCCN)cc1.
What is the InChIKey of 3-[4-(2-methoxypropyl)phenyl]propan-1-amine?
The InChIKey is UKLQEKOBRSCPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(15-2)10-13-7-5-12(6-8-13)4-3-9-14/h5-8,11H,3-4,9-10,14H2,1-2H3.
What are the key properties of 3-[4-(2-methoxypropyl)phenyl]propan-1-amine?
3-[4-(2-methoxypropyl)phenyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxypropyl)phenyl]propan-1-amine is sourced from PubChem (CID 117296745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).