N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine

C19H34N2 — CID 105346845

IUPACN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(CCNC(C)(C)C)cc1)CC(C)C
InChIInChI=1S/C19H34N2/c1-7-21(14-16(2)3)15-18-10-8-17(9-11-18)12-13-20-19(4,5)6/h8-11,16,20H,7,12-15H2,1-6H3
InChIKeyXHWXCDGCFUAJPE-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.10
Rot. Bonds8

About N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine

N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 105346845) 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-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID105346845
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1ccc(CCNC(C)(C)C)cc1)CC(C)C
InChIInChI=1S/C19H34N2/c1-7-21(14-16(2)3)15-18-10-8-17(9-11-18)12-13-20-19(4,5)6/h8-11,16,20H,7,12-15H2,1-6H3
InChIKeyXHWXCDGCFUAJPE-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethylbutan-2-amine
CID 105346870
N-[2-[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 105347778
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 105346683
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 105347790
[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
CID 112631179
N-[2-[4-(diethylaminomethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105346468
N-[[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62420492
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349335
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 62421672

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine (CID 105346845) is N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine is CCN(Cc1ccc(CCNC(C)(C)C)cc1)CC(C)C.
What is the InChIKey of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is XHWXCDGCFUAJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-7-21(14-16(2)3)15-18-10-8-17(9-11-18)12-13-20-19(4,5)6/h8-11,16,20H,7,12-15H2,1-6H3.
What are the key properties of N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 4.10, 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-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 105346845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).