N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine

C16H28N2 — CID 105346574

IUPACN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(CCNCC)cc1
InChIInChI=1S/C16H28N2/c1-4-6-13-18(3)14-16-9-7-15(8-10-16)11-12-17-5-2/h7-10,17H,4-6,11-14H2,1-3H3
InChIKeyRZBQVDZHARWOJP-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.07
Rot. Bonds9

About N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine (PubChem CID 105346574) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
PubChem CID105346574
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1ccc(CCNCC)cc1
InChIInChI=1S/C16H28N2/c1-4-6-13-18(3)14-16-9-7-15(8-10-16)11-12-17-5-2/h7-10,17H,4-6,11-14H2,1-3H3
InChIKeyRZBQVDZHARWOJP-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.07
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-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N,N'-dimethyl-N'-[(4-propylphenyl)methyl]propane-1,3-diamine
CID 115197894
3-methoxy-N-methyl-N-[[4-[2-(propylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347627
N'-[(4-bromophenyl)methyl]-N-ethyl-N'-methylbutane-1,4-diamine
CID 62412779
3-[4-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758649
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-1-amine
CID 115463670
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 105347558
2-[4-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]-N-ethylethanamine
CID 105347717
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
CID 103438251
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416
5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
CID 115236578

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine (CID 105346574) is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1ccc(CCNCC)cc1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine?
The InChIKey is RZBQVDZHARWOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-6-13-18(3)14-16-9-7-15(8-10-16)11-12-17-5-2/h7-10,17H,4-6,11-14H2,1-3H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine?
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 105346574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).