N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine

C19H34N2 — CID 105346870

IUPACN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine
SMILESCCC(C)N(CC)Cc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C19H34N2/c1-7-16(3)21(8-2)15-18-11-9-17(10-12-18)13-14-20-19(4,5)6/h9-12,16,20H,7-8,13-15H2,1-6H3
InChIKeyOQIISWWJOURCOM-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.24
Rot. Bonds8

About N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine

N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine (PubChem CID 105346870) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine
PubChem CID105346870
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine
SMILESCCC(C)N(CC)Cc1ccc(CCNC(C)(C)C)cc1
InChIInChI=1S/C19H34N2/c1-7-16(3)21(8-2)15-18-11-9-17(10-12-18)13-14-20-19(4,5)6/h9-12,16,20H,7-8,13-15H2,1-6H3
InChIKeyOQIISWWJOURCOM-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 105346845
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 105347790
N-ethyl-N-[(4-methylphenyl)methyl]butan-2-amine iodide
CID 158876232
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 105346683
N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347778
N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 62420127
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420329
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
N-[2-[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347152
N-[2-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347551

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine?
The IUPAC name of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine (CID 105346870) is N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine.
What is the SMILES notation for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine?
The canonical SMILES for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine is CCC(C)N(CC)Cc1ccc(CCNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine?
The InChIKey is OQIISWWJOURCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-16(3)21(8-2)15-18-11-9-17(10-12-18)13-14-20-19(4,5)6/h9-12,16,20H,7-8,13-15H2,1-6H3.
What are the key properties of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine?
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine has a molecular weight of 290.50 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine is sourced from PubChem (CID 105346870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).