N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine

C19H25FN2 — CID 165377968

IUPACN-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(CN)cc1
InChIInChI=1S/C19H25FN2/c1-15(13-17-8-10-19(20)11-9-17)22-12-2-3-16-4-6-18(14-21)7-5-16/h4-11,15,22H,2-3,12-14,21H2,1H3
InChIKeyAAFOFGCTGLWHLE-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.44
Rot. Bonds8

About N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine

N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 165377968) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID165377968
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC NameN-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(CN)cc1
InChIInChI=1S/C19H25FN2/c1-15(13-17-8-10-19(20)11-9-17)22-12-2-3-16-4-6-18(14-21)7-5-16/h4-11,15,22H,2-3,12-14,21H2,1H3
InChIKeyAAFOFGCTGLWHLE-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[3-(4-prop-2-enylphenyl)propyl]propan-2-amine;molecular hydrogen;hydrate
CID 170631487
N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide
CID 155119479
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456
N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine
CID 165377973
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)-3-methylbutan-2-amine
CID 155119476
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N',N'-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]ethane-1,2-diamine
CID 62995128

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine (CID 165377968) is N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCCCc1ccc(CN)cc1.
What is the InChIKey of N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is AAFOFGCTGLWHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2/c1-15(13-17-8-10-19(20)11-9-17)22-12-2-3-16-4-6-18(14-21)7-5-16/h4-11,15,22H,2-3,12-14,21H2,1H3.
What are the key properties of N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine?
N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 300.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 165377968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).