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

C14H22FN — CID 83155543

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCN[C@H](C)c1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-11(2)6-5-9-16-12(3)13-7-4-8-14(15)10-13/h4,7-8,10-12,16H,5-6,9H2,1-3H3/t12-/m1/s1
InChIKeyFIDUJDNLAUKMEN-GFCCVEGCSA-N
MW223.34 g/mol
LogP3.91
Rot. Bonds6

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

N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine (PubChem CID 83155543) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
PubChem CID83155543
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)CCCN[C@H](C)c1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-11(2)6-5-9-16-12(3)13-7-4-8-14(15)10-13/h4,7-8,10-12,16H,5-6,9H2,1-3H3/t12-/m1/s1
InChIKeyFIDUJDNLAUKMEN-GFCCVEGCSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanoic acid
CID 81365721
N-[1-(3-fluorophenyl)ethyl]hex-5-yn-1-amine
CID 115693973
3-[1-(3-fluorophenyl)ethylamino]propane-1-sulfinic acid
CID 143236265
3-[1-(3-fluorophenyl)ethylamino]propane-1-sulfonic acid
CID 58691957
(3R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-[(S)-methylsulfinyl]butan-1-amine
CID 97103906
3,3-diethoxy-N-[1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81094494
3,3-diethoxy-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365209
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81365911
5-[1-(3-fluorophenyl)ethylamino]-2,2-dimethylpentanenitrile
CID 65253932

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine (CID 83155543) is N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine is CC(C)CCCN[C@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine?
The InChIKey is FIDUJDNLAUKMEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22FN/c1-11(2)6-5-9-16-12(3)13-7-4-8-14(15)10-13/h4,7-8,10-12,16H,5-6,9H2,1-3H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine?
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 83155543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).