N-[2-(3-propylphenyl)ethyl]propan-1-amine

C14H23N — CID 116545552

IUPACN-[2-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCNCCc1cccc(CCC)c1
InChIInChI=1S/C14H23N/c1-3-6-13-7-5-8-14(12-13)9-11-15-10-4-2/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3
InChIKeyRFROQUMXGMPGMQ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.18
Rot. Bonds7

About N-[2-(3-propylphenyl)ethyl]propan-1-amine

N-[2-(3-propylphenyl)ethyl]propan-1-amine (PubChem CID 116545552) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[2-(3-propylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-propylphenyl)ethyl]propan-1-amine
PubChem CID116545552
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[2-(3-propylphenyl)ethyl]propan-1-amine
SMILESCCCNCCc1cccc(CCC)c1
InChIInChI=1S/C14H23N/c1-3-6-13-7-5-8-14(12-13)9-11-15-10-4-2/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3
InChIKeyRFROQUMXGMPGMQ-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545559
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[2-(4-bromo-3-methylphenyl)ethyl]propan-1-amine
CID 66480115
1-(3-bromopropyl)-3-propylbenzene
CID 116545899
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
2-fluoro-4-[2-(propylamino)ethyl]phenol
CID 107693740

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-propylphenyl)ethyl]propan-1-amine (CID 116545552) is N-[2-(3-propylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-propylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-propylphenyl)ethyl]propan-1-amine is CCCNCCc1cccc(CCC)c1.
What is the InChIKey of N-[2-(3-propylphenyl)ethyl]propan-1-amine?
The InChIKey is RFROQUMXGMPGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-3-6-13-7-5-8-14(12-13)9-11-15-10-4-2/h5,7-8,12,15H,3-4,6,9-11H2,1-2H3.
What are the key properties of N-[2-(3-propylphenyl)ethyl]propan-1-amine?
N-[2-(3-propylphenyl)ethyl]propan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 116545552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).