N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine

C20H25FN2O — CID 70323281

IUPACN-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine
SMILESC=C(COCc1ccc(F)cc1)NCCCc1ccc(CN)cc1
InChIInChI=1S/C20H25FN2O/c1-16(14-24-15-19-8-10-20(21)11-9-19)23-12-2-3-17-4-6-18(13-22)7-5-17/h4-11,23H,1-3,12-15,22H2
InChIKeyQALOHZVZMQYVPG-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.54
Rot. Bonds10

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

N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine (PubChem CID 70323281) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine
PubChem CID70323281
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine
SMILESC=C(COCc1ccc(F)cc1)NCCCc1ccc(CN)cc1
InChIInChI=1S/C20H25FN2O/c1-16(14-24-15-19-8-10-20(21)11-9-19)23-12-2-3-17-4-6-18(13-22)7-5-17/h4-11,23H,1-3,12-15,22H2
InChIKeyQALOHZVZMQYVPG-UHFFFAOYSA-N
XLogP3.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N-(3-hydroxypropyl)acetamide
CID 58756727
2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
N-[5-(carbamothioylamino)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 86609289
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
CID 165377968
N-(7-bromo-6-oxoheptyl)-2-[(4-fluorophenyl)methoxy]acetamide
CID 58756809
2-[[3-[3-[3-[(4-fluorophenyl)methoxy]prop-1-en-2-ylamino]propoxy]phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]ethanol
CID 143299484
ethane;(4-fluorophenyl)methanamine
CID 142071105
N-[3-(2-aminoethyl)hexyl]-2-[(4-fluorophenyl)methoxy]acetamide
CID 143299330
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(3-phenylpropyl)acetamide
CID 17254071

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine?
The IUPAC name of N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine (CID 70323281) is N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine.
What is the SMILES notation for N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine?
The canonical SMILES for N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine is C=C(COCc1ccc(F)cc1)NCCCc1ccc(CN)cc1.
What is the InChIKey of N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine?
The InChIKey is QALOHZVZMQYVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-16(14-24-15-19-8-10-20(21)11-9-19)23-12-2-3-17-4-6-18(13-22)7-5-17/h4-11,23H,1-3,12-15,22H2.
What are the key properties of N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine?
N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine has a molecular weight of 328.43 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(aminomethyl)phenyl]propyl]-3-[(4-fluorophenyl)methoxy]prop-1-en-2-amine is sourced from PubChem (CID 70323281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).