2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline

C19H26N2 — CID 139888848

IUPAC2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(N)c(Cc2cc(CCC)ccc2N)c1
InChIInChI=1S/C19H26N2/c1-3-5-14-7-9-18(20)16(11-14)13-17-12-15(6-4-2)8-10-19(17)21/h7-12H,3-6,13,20-21H2,1-2H3
InChIKeyDCGCHNJXVDKOJQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.35
Rot. Bonds6

About 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline

2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline (PubChem CID 139888848) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline.

Molecular Properties

Compound Name2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline
PubChem CID139888848
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline
SMILESCCCc1ccc(N)c(Cc2cc(CCC)ccc2N)c1
InChIInChI=1S/C19H26N2/c1-3-5-14-7-9-18(20)16(11-14)13-17-12-15(6-4-2)8-10-19(17)21/h7-12H,3-6,13,20-21H2,1-2H3
InChIKeyDCGCHNJXVDKOJQ-UHFFFAOYSA-N
XLogP4.35
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-propylaniline
CID 19914844
1,2-diethyl-4-propylbenzene
CID 54363919
4-[[4-[12-[4-[(4-amino-3-butylphenyl)methyl]phenyl]dodecyl]phenyl]methyl]-2-butylaniline
CID 22919045
4-[[4-[12-[4-[(4-amino-3-pentylphenyl)methyl]phenyl]dodecyl]phenyl]methyl]-2-pentylaniline
CID 22919570
4-[[4-[11-[4-[(4-amino-3-heptylphenyl)methyl]phenyl]undecyl]phenyl]methyl]-2-heptylaniline
CID 22921098
4-[[4-[8-[4-[(4-amino-3-octylphenyl)methyl]phenyl]octyl]phenyl]methyl]-2-octylaniline
CID 22920280
4-[[4-[7-[4-[(4-amino-3-hexylphenyl)methyl]phenyl]heptyl]phenyl]methyl]-2-hexylaniline
CID 22921018
2-(aminomethylsulfanyl)-4-propylaniline
CID 143324152
N-methyl-2,4-dipropylaniline
CID 23348993
4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485
2-(aminomethyl)-4-propylphenol
CID 12652118
4-(4-amino-3-ethylphenyl)butan-2-one;ethane
CID 143247195

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline?
The IUPAC name of 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline (CID 139888848) is 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline.
What is the SMILES notation for 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline?
The canonical SMILES for 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline is CCCc1ccc(N)c(Cc2cc(CCC)ccc2N)c1.
What is the InChIKey of 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline?
The InChIKey is DCGCHNJXVDKOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-3-5-14-7-9-18(20)16(11-14)13-17-12-15(6-4-2)8-10-19(17)21/h7-12H,3-6,13,20-21H2,1-2H3.
What are the key properties of 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline?
2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline has a molecular weight of 282.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-propylphenyl)methyl]-4-propylaniline is sourced from PubChem (CID 139888848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).