N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

C19H23NS — CID 79008955

IUPACN-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCC(Cc1ccccc1)NC1CCSc2ccccc21
InChIInChI=1S/C19H23NS/c1-2-16(14-15-8-4-3-5-9-15)20-18-12-13-21-19-11-7-6-10-17(18)19/h3-11,16,18,20H,2,12-14H2,1H3
InChIKeyKOYIGYALGUSYAM-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.83
Rot. Bonds5

About N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 79008955) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID79008955
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC NameN-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCCC(Cc1ccccc1)NC1CCSc2ccccc21
InChIInChI=1S/C19H23NS/c1-2-16(14-15-8-4-3-5-9-15)20-18-12-13-21-19-11-7-6-10-17(18)19/h3-11,16,18,20H,2,12-14H2,1H3
InChIKeyKOYIGYALGUSYAM-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methylheptan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740223
N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 63476797
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 81302250
N-(1-ethylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115889817
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94027112
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
2-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476759
(3S)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]butanamide
CID 40953266
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196
1-benzyl-3-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]thiourea
CID 26873393
N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103777436

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (CID 79008955) is N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is CCC(Cc1ccccc1)NC1CCSc2ccccc21.
What is the InChIKey of N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is KOYIGYALGUSYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-2-16(14-15-8-4-3-5-9-15)20-18-12-13-21-19-11-7-6-10-17(18)19/h3-11,16,18,20H,2,12-14H2,1H3.
What are the key properties of N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 297.47 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 79008955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).