N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine

C19H24N2 — CID 106913446

IUPACN-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(N2CC(c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2/c1-2-11-20-13-16-7-6-10-19(12-16)21-14-18(15-21)17-8-4-3-5-9-17/h3-10,12,18,20H,2,11,13-15H2,1H3
InChIKeyCMRKZVATGDQJLB-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.79
Rot. Bonds6

About N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine

N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 106913446) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID106913446
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(N2CC(c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2/c1-2-11-20-13-16-7-6-10-19(12-16)21-14-18(15-21)17-8-4-3-5-9-17/h3-10,12,18,20H,2,11,13-15H2,1H3
InChIKeyCMRKZVATGDQJLB-UHFFFAOYSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(propylaminomethyl)phenyl]-1,2,4-triazolidine-3,5-dione
CID 107409816
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63943267
3-(propylaminomethyl)phenol
CID 10725714
N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913306
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]propan-1-amine
CID 66370234
N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913534
N-[[4-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913300
N-[[5-(3-phenylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 106960239
2-chloro-5-(3-phenylazetidin-1-yl)aniline
CID 79689311
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
N-[[4-(4-benzylpiperazin-1-yl)-2-chlorophenyl]methyl]propan-1-amine
CID 114064588

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine (CID 106913446) is N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1cccc(N2CC(c3ccccc3)C2)c1.
What is the InChIKey of N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is CMRKZVATGDQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-11-20-13-16-7-6-10-19(12-16)21-14-18(15-21)17-8-4-3-5-9-17/h3-10,12,18,20H,2,11,13-15H2,1H3.
What are the key properties of N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine?
N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-phenylazetidin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106913446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).