N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine

C14H22FN — CID 81364871

IUPACN-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-10(2)8-11(3)16-12(4)13-6-5-7-14(15)9-13/h5-7,9-12,16H,8H2,1-4H3/t11?,12-/m0/s1
InChIKeyCVKSIXZHAKZUGJ-KIYNQFGBSA-N
MW223.34 g/mol
LogP3.91
Rot. Bonds5

About N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine

N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine (PubChem CID 81364871) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
PubChem CID81364871
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-10(2)8-11(3)16-12(4)13-6-5-7-14(15)9-13/h5-7,9-12,16H,8H2,1-4H3/t11?,12-/m0/s1
InChIKeyCVKSIXZHAKZUGJ-KIYNQFGBSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-methylsulfonylpropan-2-amine
CID 81369924
N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
4-[1-[1-(3-fluorophenyl)ethylamino]ethyl]phenol
CID 43205919
3-[1-(4-methylpentan-2-ylamino)ethyl]benzonitrile
CID 43775771
6,6,6-trifluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]hexan-2-amine
CID 104889893
N-[1-(3-chlorophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828300
1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 43677542

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine (CID 81364871) is N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine is CC(C)CC(C)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine?
The InChIKey is CVKSIXZHAKZUGJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H22FN/c1-10(2)8-11(3)16-12(4)13-6-5-7-14(15)9-13/h5-7,9-12,16H,8H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine?
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine is sourced from PubChem (CID 81364871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).