N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

C17H30N2 — CID 62419867

IUPACN-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(Cc1ccccc1CNCC(C)C)C(C)C
InChIInChI=1S/C17H30N2/c1-6-19(15(4)5)13-17-10-8-7-9-16(17)12-18-11-14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyKSEFJYAREZNJBJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.66
Rot. Bonds8

About N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 62419867) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID62419867
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(Cc1ccccc1CNCC(C)C)C(C)C
InChIInChI=1S/C17H30N2/c1-6-19(15(4)5)13-17-10-8-7-9-16(17)12-18-11-14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyKSEFJYAREZNJBJ-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[[bis(prop-2-enyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62439717
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 55072302
N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
N-[[2-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369676
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 62419867) is N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is CCN(Cc1ccccc1CNCC(C)C)C(C)C.
What is the InChIKey of N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is KSEFJYAREZNJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-19(15(4)5)13-17-10-8-7-9-16(17)12-18-11-14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3.
What are the key properties of N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[ethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62419867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).