N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline

C16H22F3N — CID 63540889

IUPACN-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
SMILESCCC(Nc1ccccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C16H22F3N/c1-2-14(12-8-4-3-5-9-12)20-15-11-7-6-10-13(15)16(17,18)19/h6-7,10-12,14,20H,2-5,8-9H2,1H3
InChIKeyWAUYABKUVQLMFB-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.48
Rot. Bonds4

About N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline

N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline (PubChem CID 63540889) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
PubChem CID63540889
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC NameN-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
SMILESCCC(Nc1ccccc1C(F)(F)F)C1CCCCC1
InChIInChI=1S/C16H22F3N/c1-2-14(12-8-4-3-5-9-12)20-15-11-7-6-10-13(15)16(17,18)19/h6-7,10-12,14,20H,2-5,8-9H2,1H3
InChIKeyWAUYABKUVQLMFB-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-N-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 106738164
5-bromo-N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline
CID 107286207
2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
CID 62406135
1-N-(1-cyclohexylpropyl)-3-fluorobenzene-1,2-diamine
CID 55068971
1-N-(1-cyclohexylpropyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 63406082
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294
2-cyclohexyl-2-[2-(trifluoromethyl)anilino]acetic acid
CID 62315278
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
N-(1-cyclopropylpropyl)naphthalen-1-amine
CID 64919441
N-(1-cyclohexylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329261
N-(1-cyclopropylpropyl)-2-pyrrolidin-1-ylaniline
CID 64917339
3-N-(1-cyclohexylpropyl)-4-methylbenzene-1,3-diamine
CID 62589796

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline (CID 63540889) is N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline is CCC(Nc1ccccc1C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline?
The InChIKey is WAUYABKUVQLMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-2-14(12-8-4-3-5-9-12)20-15-11-7-6-10-13(15)16(17,18)19/h6-7,10-12,14,20H,2-5,8-9H2,1H3.
What are the key properties of N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline?
N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline has a molecular weight of 285.35 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 63540889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).