N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine

C17H30N2 — CID 115463727

IUPACN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCCc1ccccc1CN(C)C(C)C(C)C
InChIInChI=1S/C17H30N2/c1-6-18-12-11-16-9-7-8-10-17(16)13-19(5)15(4)14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyIINYDCGXDPRHTK-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.31
Rot. Bonds8

About N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine

N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine (PubChem CID 115463727) 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,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
PubChem CID115463727
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCCc1ccccc1CN(C)C(C)C(C)C
InChIInChI=1S/C17H30N2/c1-6-18-12-11-16-9-7-8-10-17(16)13-19(5)15(4)14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyIINYDCGXDPRHTK-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.31
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,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine
CID 115463726
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463732
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 115463664
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-1-amine
CID 115463958
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N-methyl-N-[[2-[2-(propylamino)ethyl]phenyl]methyl]pentan-3-amine
CID 115463724
N'-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 115464108
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N-ethyl-2-[2-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 115464004
N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine (CID 115463727) is N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine is CCNCCc1ccccc1CN(C)C(C)C(C)C.
What is the InChIKey of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is IINYDCGXDPRHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-18-12-11-16-9-7-8-10-17(16)13-19(5)15(4)14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3.
What are the key properties of N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine?
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.31, 8 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,3-dimethylbutan-2-amine is sourced from PubChem (CID 115463727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).