2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine

C18H21NO — CID 97125876

IUPAC2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
SMILESNCCc1ccc(C[C@@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C18H21NO/c19-10-9-14-5-7-15(8-6-14)11-16-12-17-3-1-2-4-18(17)20-13-16/h1-8,16H,9-13,19H2/t16-/m0/s1
InChIKeySTPAVDCQTZRTEI-INIZCTEOSA-N
MW267.37 g/mol
LogP2.98
Rot. Bonds4

About 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine

2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine (PubChem CID 97125876) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
PubChem CID97125876
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine
SMILESNCCc1ccc(C[C@@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C18H21NO/c19-10-9-14-5-7-15(8-6-14)11-16-12-17-3-1-2-4-18(17)20-13-16/h1-8,16H,9-13,19H2/t16-/m0/s1
InChIKeySTPAVDCQTZRTEI-INIZCTEOSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-chromen-3-ylmethyl)pyridine
CID 72893239
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride
CID 11152526
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
3-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 11708657
4-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]benzamide
CID 97272217
5-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-methylpyridin-2-amine
CID 97146960
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,2-dimethyl-1H-azete
CID 143711024
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 143328433
3-pent-4-enyl-3,4-dihydro-2H-chromene
CID 163719188
3-(3,4-dihydro-2H-chromen-3-ylmethyl)-2,6-dimethylpyridine
CID 72872119
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
CID 142636452

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine (CID 97125876) is 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine is NCCc1ccc(C[C@@H]2COc3ccccc3C2)cc1.
What is the InChIKey of 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine?
The InChIKey is STPAVDCQTZRTEI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21NO/c19-10-9-14-5-7-15(8-6-14)11-16-12-17-3-1-2-4-18(17)20-13-16/h1-8,16H,9-13,19H2/t16-/m0/s1.
What are the key properties of 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine?
2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]ethanamine is sourced from PubChem (CID 97125876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).