(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine

C17H18FNO2 — CID 29257290

IUPAC(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc(CN[C@H]2COc3ccccc3C2)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-20-15-7-6-13(16(18)9-15)10-19-14-8-12-4-2-3-5-17(12)21-11-14/h2-7,9,14,19H,8,10-11H2,1H3/t14-/m1/s1
InChIKeyIZWLCOMYCVCAQC-CQSZACIVSA-N
MW287.33 g/mol
LogP2.93
Rot. Bonds4

About (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine

(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine (PubChem CID 29257290) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
PubChem CID29257290
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
SMILESCOc1ccc(CN[C@H]2COc3ccccc3C2)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-20-15-7-6-13(16(18)9-15)10-19-14-8-12-4-2-3-5-17(12)21-11-14/h2-7,9,14,19H,8,10-11H2,1H3/t14-/m1/s1
InChIKeyIZWLCOMYCVCAQC-CQSZACIVSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 83310423
3-[(2-fluoro-4-methoxyphenyl)methylamino]cyclobutan-1-ol
CID 102876481
N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 45244633
4-methoxy-2-[[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]methyl]phenol
CID 45219852
N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378994
6-methoxy-N-methyl-3,4-dihydro-2H-chromen-3-amine;hydrochloride
CID 118703251
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 15536179
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine (CID 29257290) is (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine is COc1ccc(CN[C@H]2COc3ccccc3C2)c(F)c1.
What is the InChIKey of (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is IZWLCOMYCVCAQC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-20-15-7-6-13(16(18)9-15)10-19-14-8-12-4-2-3-5-17(12)21-11-14/h2-7,9,14,19H,8,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine?
(3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 287.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 29257290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).