N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine

C19H34N2 — CID 62426149

IUPACN-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine
SMILESCC(N(C)Cc1ccccc1CNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-15(18(2,3)4)21(8)14-17-12-10-9-11-16(17)13-20-19(5,6)7/h9-12,15,20H,13-14H2,1-8H3
InChIKeyZGBZNMCFHMAXES-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.44
Rot. Bonds5

About N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine

N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine (PubChem CID 62426149) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine
PubChem CID62426149
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine
SMILESCC(N(C)Cc1ccccc1CNC(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H34N2/c1-15(18(2,3)4)21(8)14-17-12-10-9-11-16(17)13-20-19(5,6)7/h9-12,15,20H,13-14H2,1-8H3
InChIKeyZGBZNMCFHMAXES-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463732
N'-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725127
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62425451
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426679
2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 112665489
2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63807537
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
CID 55072438
(2S)-2-amino-3,3-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845611
N,3,3-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62426847

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine?
The IUPAC name of N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine (CID 62426149) is N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine is CC(N(C)Cc1ccccc1CNC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine?
The InChIKey is ZGBZNMCFHMAXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-15(18(2,3)4)21(8)14-17-12-10-9-11-16(17)13-20-19(5,6)7/h9-12,15,20H,13-14H2,1-8H3.
What are the key properties of N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine?
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine has a molecular weight of 290.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 62426149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).