N-(3-phenylpropyl)-2-propylaniline

C18H23N — CID 43687217

IUPACN-(3-phenylpropyl)-2-propylaniline
SMILESCCCc1ccccc1NCCCc1ccccc1
InChIInChI=1S/C18H23N/c1-2-9-17-13-6-7-14-18(17)19-15-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14,19H,2,8-9,12,15H2,1H3
InChIKeyKEIOJFAAWNGPBW-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.68
Rot. Bonds7

About N-(3-phenylpropyl)-2-propylaniline

N-(3-phenylpropyl)-2-propylaniline (PubChem CID 43687217) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-propylaniline.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-propylaniline
PubChem CID43687217
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-(3-phenylpropyl)-2-propylaniline
SMILESCCCc1ccccc1NCCCc1ccccc1
InChIInChI=1S/C18H23N/c1-2-9-17-13-6-7-14-18(17)19-15-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14,19H,2,8-9,12,15H2,1H3
InChIKeyKEIOJFAAWNGPBW-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.68
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-(4,4-dimethylpentyl)-2-propylaniline
CID 114209394
2-propyl-N-(4,4,4-trifluorobutyl)aniline
CID 113326332
N-(2-fluoroethyl)-2-propylaniline
CID 80695673
2-tert-butyl-N-(3-phenylpropyl)aniline
CID 39366741
N-methyl-4-(2-propylanilino)butanamide
CID 63891193
methyl 4-(2-propylanilino)butanoate
CID 54963180
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
N-(3-phenylbutyl)-2-propylaniline
CID 63434100
2-(2-butylanilino)ethanol
CID 139597188
2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
2-(3-phenylpropylamino)benzonitrile
CID 28580856

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-propylaniline?
The IUPAC name of N-(3-phenylpropyl)-2-propylaniline (CID 43687217) is N-(3-phenylpropyl)-2-propylaniline.
What is the SMILES notation for N-(3-phenylpropyl)-2-propylaniline?
The canonical SMILES for N-(3-phenylpropyl)-2-propylaniline is CCCc1ccccc1NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-propylaniline?
The InChIKey is KEIOJFAAWNGPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-9-17-13-6-7-14-18(17)19-15-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14,19H,2,8-9,12,15H2,1H3.
What are the key properties of N-(3-phenylpropyl)-2-propylaniline?
N-(3-phenylpropyl)-2-propylaniline has a molecular weight of 253.39 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-propylaniline is sourced from PubChem (CID 43687217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).