N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine

C18H32N2 — CID 62425451

IUPACN-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCN(CCC)Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H32N2/c1-6-12-20(13-7-2)15-17-11-9-8-10-16(17)14-19-18(3,4)5/h8-11,19H,6-7,12-15H2,1-5H3
InChIKeyOOWHWXQZVIGIMF-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.20
Rot. Bonds8

About N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62425451) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62425451
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCCCN(CCC)Cc1ccccc1CNC(C)(C)C
InChIInChI=1S/C18H32N2/c1-6-12-20(13-7-2)15-17-11-9-8-10-16(17)14-19-18(3,4)5/h8-11,19H,6-7,12-15H2,1-5H3
InChIKeyOOWHWXQZVIGIMF-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725127
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
N'-[[2-(ethylaminomethyl)phenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436903
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]propan-1-amine
CID 62422900
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-propylpropan-1-amine
CID 115463481
N'-tert-butyl-N-[[2-(diethylaminomethyl)phenyl]methyl]ethane-1,2-diamine
CID 107444667
2-methyl-N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 112665489
N'-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62437066
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426149
N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727929
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62420289

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 62425451) is N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine is CCCN(CCC)Cc1ccccc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is OOWHWXQZVIGIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-12-20(13-7-2)15-17-11-9-8-10-16(17)14-19-18(3,4)5/h8-11,19H,6-7,12-15H2,1-5H3.
What are the key properties of N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dipropylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62425451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).