3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline

C12H18FN — CID 93282117

IUPAC3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline
SMILESCC[C@H](Nc1cccc(F)c1)C(C)C
InChIInChI=1S/C12H18FN/c1-4-12(9(2)3)14-11-7-5-6-10(13)8-11/h5-9,12,14H,4H2,1-3H3/t12-/m0/s1
InChIKeySNIVPJPTMJDUBZ-LBPRGKRZSA-N
MW195.28 g/mol
LogP3.67
Rot. Bonds4

About 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline

3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline (PubChem CID 93282117) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline
PubChem CID93282117
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline
SMILESCC[C@H](Nc1cccc(F)c1)C(C)C
InChIInChI=1S/C12H18FN/c1-4-12(9(2)3)14-11-7-5-6-10(13)8-11/h5-9,12,14H,4H2,1-3H3/t12-/m0/s1
InChIKeySNIVPJPTMJDUBZ-LBPRGKRZSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-(3-fluorophenyl)-3-methylpentane-1,2-diamine
CID 65382983
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
N-(3-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954669
3-fluoro-N-(1-phenylbutan-2-yl)aniline
CID 79007275
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
N-[(3R)-2-methylpentan-3-yl]pyridin-3-amine
CID 67725342
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
3-ethyl-2-(3-fluoroanilino)pentanoic acid
CID 61319324
N-(dichloromethyl)-3-fluoroaniline
CID 174909266
1-[3-(2-methylpentan-3-ylamino)phenyl]imidazolidin-2-one
CID 43783652
2-methoxy-N-[3-(2-methylpentan-3-ylamino)phenyl]acetamide
CID 43784507

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline?
The IUPAC name of 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline (CID 93282117) is 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline.
What is the SMILES notation for 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline?
The canonical SMILES for 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline is CC[C@H](Nc1cccc(F)c1)C(C)C.
What is the InChIKey of 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline?
The InChIKey is SNIVPJPTMJDUBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-12(9(2)3)14-11-7-5-6-10(13)8-11/h5-9,12,14H,4H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline?
3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline has a molecular weight of 195.28 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline is sourced from PubChem (CID 93282117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).