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

C19H34N2 — CID 115463732

IUPACN-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1ccccc1CCNC(C)(C)C
InChIInChI=1S/C19H34N2/c1-15(2)16(3)21(7)14-18-11-9-8-10-17(18)12-13-20-19(4,5)6/h8-11,15-16,20H,12-14H2,1-7H3
InChIKeyOCXWYXDWJLGAFF-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.09
Rot. Bonds7

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

N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine (PubChem CID 115463732) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
PubChem CID115463732
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC NameN-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCC(C)C(C)N(C)Cc1ccccc1CCNC(C)(C)C
InChIInChI=1S/C19H34N2/c1-15(2)16(3)21(7)14-18-11-9-8-10-17(18)12-13-20-19(4,5)6/h8-11,15-16,20H,12-14H2,1-7H3
InChIKeyOCXWYXDWJLGAFF-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine
CID 115463726
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426149
2-methyl-N-[2-[2-[[propan-2-yl(propyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463638
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
CID 55072438
N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387189
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 107113121

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine (CID 115463732) is N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine is CC(C)C(C)N(C)Cc1ccccc1CCNC(C)(C)C.
What is the InChIKey of N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is OCXWYXDWJLGAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-15(2)16(3)21(7)14-18-11-9-8-10-17(18)12-13-20-19(4,5)6/h8-11,15-16,20H,12-14H2,1-7H3.
What are the key properties of N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine?
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 290.49 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 115463732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).