(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

C16H25NO — CID 10538469

IUPAC(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@H]1COc2ccccc2[C@@H]1C
InChIInChI=1S/C16H25NO/c1-4-10-17(11-5-2)15-12-18-16-9-7-6-8-14(16)13(15)3/h6-9,13,15H,4-5,10-12H2,1-3H3/t13-,15-/m0/s1
InChIKeyIUSMMDZFNLBNJV-ZFWWWQNUSA-N
MW247.38 g/mol
LogP3.67
Rot. Bonds5

About (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 10538469) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID10538469
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@H]1COc2ccccc2[C@@H]1C
InChIInChI=1S/C16H25NO/c1-4-10-17(11-5-2)15-12-18-16-9-7-6-8-14(16)13(15)3/h6-9,13,15H,4-5,10-12H2,1-3H3/t13-,15-/m0/s1
InChIKeyIUSMMDZFNLBNJV-ZFWWWQNUSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine
CID 79230131
N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 90805957
N,N-dipropyl-3,4-dihydro-1,2-benzodioxin-4-amine
CID 91335559
(3S,4S)-3,4-dipentyl-3,4-dihydro-2H-chromene
CID 69084900
3-(dipropylamino)-6-ethoxy-3,4-dihydro-2H-chromen-4-ol
CID 82187139
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 79476936
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 65486887
3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 61431445

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 10538469) is (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)[C@H]1COc2ccccc2[C@@H]1C.
What is the InChIKey of (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is IUSMMDZFNLBNJV-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-10-17(11-5-2)15-12-18-16-9-7-6-8-14(16)13(15)3/h6-9,13,15H,4-5,10-12H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 10538469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).