(1S)-1-(2-methoxyphenyl)propane-1,3-diamine

C10H16N2O — CID 171219974

IUPAC(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1[C@@H](N)CCN
InChIInChI=1S/C10H16N2O/c1-13-10-5-3-2-4-8(10)9(12)6-7-11/h2-5,9H,6-7,11-12H2,1H3/t9-/m0/s1
InChIKeyMGOFKKBGHZWGHH-VIFPVBQESA-N
MW180.25 g/mol
LogP1.04
Rot. Bonds4

About (1S)-1-(2-methoxyphenyl)propane-1,3-diamine

(1S)-1-(2-methoxyphenyl)propane-1,3-diamine (PubChem CID 171219974) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-1-(2-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
PubChem CID171219974
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1[C@@H](N)CCN
InChIInChI=1S/C10H16N2O/c1-13-10-5-3-2-4-8(10)9(12)6-7-11/h2-5,9H,6-7,11-12H2,1H3/t9-/m0/s1
InChIKeyMGOFKKBGHZWGHH-VIFPVBQESA-N
XLogP1.04
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
(1R)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171200452
(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 171219989
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(2-methoxyphenyl)-3-naphthalen-1-yloxypropan-1-amine
CID 19884989
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of (1S)-1-(2-methoxyphenyl)propane-1,3-diamine (CID 171219974) is (1S)-1-(2-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for (1S)-1-(2-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for (1S)-1-(2-methoxyphenyl)propane-1,3-diamine is COc1ccccc1[C@@H](N)CCN.
What is the InChIKey of (1S)-1-(2-methoxyphenyl)propane-1,3-diamine?
The InChIKey is MGOFKKBGHZWGHH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-10-5-3-2-4-8(10)9(12)6-7-11/h2-5,9H,6-7,11-12H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-methoxyphenyl)propane-1,3-diamine?
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 171219974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).