1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine

C22H25N3 — CID 155119438

IUPAC1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine
SMILESCC(Cc1ccccc1)NCCCc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C22H25N3/c1-18(14-20-6-3-2-4-7-20)25-13-5-8-19-9-11-21(12-10-19)22-15-23-17-24-16-22/h2-4,6-7,9-12,15-18,25H,5,8,13-14H2,1H3
InChIKeyMOHKJJNSPKEMSG-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.30
Rot. Bonds8

About 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine

1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine (PubChem CID 155119438) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine
PubChem CID155119438
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine
SMILESCC(Cc1ccccc1)NCCCc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C22H25N3/c1-18(14-20-6-3-2-4-7-20)25-13-5-8-19-9-11-21(12-10-19)22-15-23-17-24-16-22/h2-4,6-7,9-12,15-18,25H,5,8,13-14H2,1H3
InChIKeyMOHKJJNSPKEMSG-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117
1-(2-ethylphenyl)-N-(3-phenylpropyl)propan-2-amine
CID 174848897
1-(2-fluorophenyl)-N-(3-phenylpropyl)propan-2-amine
CID 115592301
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N-(1-phenylpropan-2-yl)hexan-1-amine
CID 10998534
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
CID 24834584
5-(4-pentylphenyl)pyrimidine
CID 56629303
3-(3-phenylpropylamino)butanenitrile
CID 60905257
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine?
The IUPAC name of 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine (CID 155119438) is 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine.
What is the SMILES notation for 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine?
The canonical SMILES for 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine is CC(Cc1ccccc1)NCCCc1ccc(-c2cncnc2)cc1.
What is the InChIKey of 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine?
The InChIKey is MOHKJJNSPKEMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-18(14-20-6-3-2-4-7-20)25-13-5-8-19-9-11-21(12-10-19)22-15-23-17-24-16-22/h2-4,6-7,9-12,15-18,25H,5,8,13-14H2,1H3.
What are the key properties of 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine?
1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine has a molecular weight of 331.46 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[3-(4-pyrimidin-5-ylphenyl)propyl]propan-2-amine is sourced from PubChem (CID 155119438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).