(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine

C14H17NO2 — CID 729616

IUPAC(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1[C@H](CCN)c1ccco1
InChIInChI=1S/C14H17NO2/c1-16-13-6-3-2-5-11(13)12(8-9-15)14-7-4-10-17-14/h2-7,10,12H,8-9,15H2,1H3/t12-/m0/s1
InChIKeyOTDIXAAZRDFVIV-LBPRGKRZSA-N
MW231.30 g/mol
LogP2.77
Rot. Bonds5

About (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine

(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine (PubChem CID 729616) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
PubChem CID729616
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
SMILESCOc1ccccc1[C@H](CCN)c1ccco1
InChIInChI=1S/C14H17NO2/c1-16-13-6-3-2-5-11(13)12(8-9-15)14-7-4-10-17-14/h2-7,10,12H,8-9,15H2,1H3/t12-/m0/s1
InChIKeyOTDIXAAZRDFVIV-LBPRGKRZSA-N
XLogP2.77
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
CID 169488876
N-[(2-fluorophenyl)methyl]-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine
CID 2939625
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
[furan-2-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191034
N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 1391150
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
CID 1306729
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81402863
3-(2-methoxyphenyl)-3-phenoxypropan-1-amine
CID 112501709
(2S,4S)-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-2-propan-2-yloxan-4-amine
CID 51690741
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 1427599

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine (CID 729616) is (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine is COc1ccccc1[C@H](CCN)c1ccco1.
What is the InChIKey of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
The InChIKey is OTDIXAAZRDFVIV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO2/c1-16-13-6-3-2-5-11(13)12(8-9-15)14-7-4-10-17-14/h2-7,10,12H,8-9,15H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine?
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 729616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).