1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol

C16H22F3NO — CID 103157568

IUPAC1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol
SMILESCc1ccc(NCC(O)CC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-11-6-7-13(9-15(11)16(17,18)19)20-10-14(21)8-12-4-2-3-5-12/h6-7,9,12,14,20-21H,2-5,8,10H2,1H3
InChIKeyDVBLJKFGKNUDDY-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.37
Rot. Bonds5

About 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol

1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol (PubChem CID 103157568) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol
PubChem CID103157568
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol
SMILESCc1ccc(NCC(O)CC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C16H22F3NO/c1-11-6-7-13(9-15(11)16(17,18)19)20-10-14(21)8-12-4-2-3-5-12/h6-7,9,12,14,20-21H,2-5,8,10H2,1H3
InChIKeyDVBLJKFGKNUDDY-UHFFFAOYSA-N
XLogP4.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(naphthalen-2-ylamino)propan-2-ol
CID 103157283
1-(4-bromoanilino)-3-cyclopentylpropan-2-ol
CID 103157119
1-cyclopentyl-3-(4-methoxyanilino)propan-2-ol
CID 103157166
N-[3-[(3-cyclopentyl-2-hydroxypropyl)amino]phenyl]acetamide
CID 103157101
1-cyclopentyl-3-[3-(dimethylamino)anilino]propan-2-ol
CID 103158165
1-cyclopentyl-3-(3,5-dimethoxyanilino)propan-2-ol
CID 103157053
N-(3,3-dimethylbutyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455402
3-[4-propan-2-yloxy-3-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593176
2-[4-methyl-3-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylethanone
CID 60703975
4-[(2-cyclopentyl-2-hydroxyethyl)amino]-2-(trifluoromethyl)benzonitrile
CID 133306946
N-[4-methyl-3-(trifluoromethyl)phenyl]cyclooctanamine
CID 63455762
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol (CID 103157568) is 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol is Cc1ccc(NCC(O)CC2CCCC2)cc1C(F)(F)F.
What is the InChIKey of 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol?
The InChIKey is DVBLJKFGKNUDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11-6-7-13(9-15(11)16(17,18)19)20-10-14(21)8-12-4-2-3-5-12/h6-7,9,12,14,20-21H,2-5,8,10H2,1H3.
What are the key properties of 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol?
1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol has a molecular weight of 301.35 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol is sourced from PubChem (CID 103157568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).