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

C18H32N2 — CID 115463579

IUPACN-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccccc1CCNC(C)(C)C
InChIInChI=1S/C18H32N2/c1-7-15(2)20(6)14-17-11-9-8-10-16(17)12-13-19-18(3,4)5/h8-11,15,19H,7,12-14H2,1-6H3
InChIKeyYITHEADITOLHGO-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.85
Rot. Bonds7

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

N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine (PubChem CID 115463579) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
PubChem CID115463579
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccccc1CCNC(C)(C)C
InChIInChI=1S/C18H32N2/c1-7-15(2)20(6)14-17-11-9-8-10-16(17)12-13-19-18(3,4)5/h8-11,15,19H,7,12-14H2,1-6H3
InChIKeyYITHEADITOLHGO-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463732
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
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-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426149
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine?
The IUPAC name of N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine (CID 115463579) is N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine is CCC(C)N(C)Cc1ccccc1CCNC(C)(C)C.
What is the InChIKey of N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine?
The InChIKey is YITHEADITOLHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-15(2)20(6)14-17-11-9-8-10-16(17)12-13-19-18(3,4)5/h8-11,15,19H,7,12-14H2,1-6H3.
What are the key properties of N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine?
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 3.85, 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-methylbutan-2-amine is sourced from PubChem (CID 115463579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).