1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine

C19H27NS — CID 105150378

IUPAC1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
SMILESCCCNC(CCc1cccs1)CCc1ccccc1C
InChIInChI=1S/C19H27NS/c1-3-14-20-18(12-13-19-9-6-15-21-19)11-10-17-8-5-4-7-16(17)2/h4-9,15,18,20H,3,10-14H2,1-2H3
InChIKeyGLIANWRNYDVDNQ-UHFFFAOYSA-N
MW301.50 g/mol
LogP4.99
Rot. Bonds9

About 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine

1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine (PubChem CID 105150378) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
PubChem CID105150378
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
SMILESCCCNC(CCc1cccs1)CCc1ccccc1C
InChIInChI=1S/C19H27NS/c1-3-14-20-18(12-13-19-9-6-15-21-19)11-10-17-8-5-4-7-16(17)2/h4-9,15,18,20H,3,10-14H2,1-2H3
InChIKeyGLIANWRNYDVDNQ-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
N-propyl-1-thiophen-2-yldecan-3-amine
CID 115860884
1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
N-[2-(2-methylphenyl)ethyl]heptan-4-amine
CID 79762422
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1-(2-methylphenyl)-N-propyloct-7-en-3-amine
CID 105153242
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine?
The IUPAC name of 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine (CID 105150378) is 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine.
What is the SMILES notation for 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine?
The canonical SMILES for 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine is CCCNC(CCc1cccs1)CCc1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine?
The InChIKey is GLIANWRNYDVDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-3-14-20-18(12-13-19-9-6-15-21-19)11-10-17-8-5-4-7-16(17)2/h4-9,15,18,20H,3,10-14H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine?
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine has a molecular weight of 301.50 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine is sourced from PubChem (CID 105150378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).