N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine

C16H26N2 — CID 106913306

IUPACN-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC(CCC)C2)cc1
InChIInChI=1S/C16H26N2/c1-3-5-15-12-18(13-15)16-8-6-14(7-9-16)11-17-10-4-2/h6-9,15,17H,3-5,10-13H2,1-2H3
InChIKeyNFVBVLVYVYTAQZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.42
Rot. Bonds7

About N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine

N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 106913306) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine
PubChem CID106913306
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(N2CC(CCC)C2)cc1
InChIInChI=1S/C16H26N2/c1-3-5-15-12-18(13-15)16-8-6-14(7-9-16)11-17-10-4-2/h6-9,15,17H,3-5,10-13H2,1-2H3
InChIKeyNFVBVLVYVYTAQZ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(3-propan-2-ylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913300
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 64597384
2-[4-(3-propylazetidin-1-yl)phenyl]ethanol
CID 104549222
1-[4-(ethylaminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106670405
N-[[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methyl]propan-1-amine
CID 102744838
N-[[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]propan-1-amine
CID 79942869
N-[[4-(2-methylazetidin-1-yl)phenyl]methyl]propan-1-amine
CID 106913287
N-[[4-(1,4-thiazepan-4-yl)phenyl]methyl]propan-1-amine
CID 61419465
N-[(4-pyrrol-1-ylphenyl)methyl]propan-1-amine
CID 106913309
N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-1-amine
CID 43280829
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]ethanamine
CID 93007627

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine (CID 106913306) is N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(N2CC(CCC)C2)cc1.
What is the InChIKey of N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is NFVBVLVYVYTAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-5-15-12-18(13-15)16-8-6-14(7-9-16)11-17-10-4-2/h6-9,15,17H,3-5,10-13H2,1-2H3.
What are the key properties of N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine?
N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-propylazetidin-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106913306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).