N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine

C17H30N2 — CID 115463481

IUPACN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccccc1CCNCC
InChIInChI=1S/C17H30N2/c1-4-13-19(14-5-2)15-17-10-8-7-9-16(17)11-12-18-6-3/h7-10,18H,4-6,11-15H2,1-3H3
InChIKeyDWJJXWFAHRFKRQ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.46
Rot. Bonds10

About N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine

N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine (PubChem CID 115463481) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
PubChem CID115463481
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1ccccc1CCNCC
InChIInChI=1S/C17H30N2/c1-4-13-19(14-5-2)15-17-10-8-7-9-16(17)11-12-18-6-3/h7-10,18H,4-6,11-15H2,1-3H3
InChIKeyDWJJXWFAHRFKRQ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[[ethyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463617
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N'-[[2-(ethylaminomethyl)phenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436903
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-ethyl-2-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 115464004
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115463985
N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62425451
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N-ethyl-N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 113314751

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine (CID 115463481) is N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1ccccc1CCNCC.
What is the InChIKey of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine?
The InChIKey is DWJJXWFAHRFKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-13-19(14-5-2)15-17-10-8-7-9-16(17)11-12-18-6-3/h7-10,18H,4-6,11-15H2,1-3H3.
What are the key properties of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine?
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 115463481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).