2-phenylethanamine;N-propylaniline

C17H24N2 — CID 174836088

IUPAC2-phenylethanamine;N-propylaniline
SMILESCCCNc1ccccc1.NCCc1ccccc1
InChIInChI=1S/C9H13N.C8H11N/c1-2-8-10-9-6-4-3-5-7-9;9-7-6-8-4-2-1-3-5-8/h3-7,10H,2,8H2,1H3;1-5H,6-7,9H2
InChIKeyWEWVHENPYJACIT-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.70
Rot. Bonds5

About 2-phenylethanamine;N-propylaniline

2-phenylethanamine;N-propylaniline (PubChem CID 174836088) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-phenylethanamine;N-propylaniline.

Molecular Properties

Compound Name2-phenylethanamine;N-propylaniline
PubChem CID174836088
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-phenylethanamine;N-propylaniline
SMILESCCCNc1ccccc1.NCCc1ccccc1
InChIInChI=1S/C9H13N.C8H11N/c1-2-8-10-9-6-4-3-5-7-9;9-7-6-8-4-2-1-3-5-8/h3-7,10H,2,8H2,1H3;1-5H,6-7,9H2
InChIKeyWEWVHENPYJACIT-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propylaniline
CID 12153
ethane;N-(2-phenylethyl)aniline
CID 91194556
ethane;N'-phenylethane-1,2-diamine
CID 91048519
azane;2-phenylethanamine
CID 23506485
molecular hydrogen;N'-phenylethane-1,2-diamine;propane
CID 143734576
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
N-[2-[4-(aminomethyl)phenyl]ethyl]aniline
CID 105484105
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
N,N-diethylethanamine;2-phenylethanamine
CID 67440073
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
4-[10-(4-phenylphenyl)anthracen-9-yl]aniline;N-propylaniline
CID 155714714

Frequently Asked Questions

What is the IUPAC name of 2-phenylethanamine;N-propylaniline?
The IUPAC name of 2-phenylethanamine;N-propylaniline (CID 174836088) is 2-phenylethanamine;N-propylaniline.
What is the SMILES notation for 2-phenylethanamine;N-propylaniline?
The canonical SMILES for 2-phenylethanamine;N-propylaniline is CCCNc1ccccc1.NCCc1ccccc1.
What is the InChIKey of 2-phenylethanamine;N-propylaniline?
The InChIKey is WEWVHENPYJACIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H11N/c1-2-8-10-9-6-4-3-5-7-9;9-7-6-8-4-2-1-3-5-8/h3-7,10H,2,8H2,1H3;1-5H,6-7,9H2.
What are the key properties of 2-phenylethanamine;N-propylaniline?
2-phenylethanamine;N-propylaniline has a molecular weight of 256.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanamine;N-propylaniline is sourced from PubChem (CID 174836088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).