N-(1-phenylethyl)-4-propylaniline

C17H21N — CID 43078217

IUPACN-(1-phenylethyl)-4-propylaniline
SMILESCCCc1ccc(NC(C)c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-3-7-15-10-12-17(13-11-15)18-14(2)16-8-5-4-6-9-16/h4-6,8-14,18H,3,7H2,1-2H3
InChIKeyBCCODIJCOUKRMB-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.81
Rot. Bonds5

About N-(1-phenylethyl)-4-propylaniline

N-(1-phenylethyl)-4-propylaniline (PubChem CID 43078217) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-propylaniline.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-propylaniline
PubChem CID43078217
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-(1-phenylethyl)-4-propylaniline
SMILESCCCc1ccc(NC(C)c2ccccc2)cc1
InChIInChI=1S/C17H21N/c1-3-7-15-10-12-17(13-11-15)18-14(2)16-8-5-4-6-9-16/h4-6,8-14,18H,3,7H2,1-2H3
InChIKeyBCCODIJCOUKRMB-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
[4-(1-phenylethylamino)phenyl]methanol
CID 112706513
N-[1-(4-ethylphenyl)ethyl]aniline
CID 43190038
N-[1-(2-bromophenyl)ethyl]-4-propylaniline
CID 43097008
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
2-[1-(4-propylanilino)ethyl]benzene-1,3-diol
CID 107710477
4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
CID 28902579
N-[1-(2-chloro-4-pyridinyl)ethyl]-4-propylaniline
CID 166201286
3-[1-(4-butylanilino)ethyl]phenol
CID 43110475
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-propylaniline?
The IUPAC name of N-(1-phenylethyl)-4-propylaniline (CID 43078217) is N-(1-phenylethyl)-4-propylaniline.
What is the SMILES notation for N-(1-phenylethyl)-4-propylaniline?
The canonical SMILES for N-(1-phenylethyl)-4-propylaniline is CCCc1ccc(NC(C)c2ccccc2)cc1.
What is the InChIKey of N-(1-phenylethyl)-4-propylaniline?
The InChIKey is BCCODIJCOUKRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-3-7-15-10-12-17(13-11-15)18-14(2)16-8-5-4-6-9-16/h4-6,8-14,18H,3,7H2,1-2H3.
What are the key properties of N-(1-phenylethyl)-4-propylaniline?
N-(1-phenylethyl)-4-propylaniline has a molecular weight of 239.36 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-propylaniline is sourced from PubChem (CID 43078217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).