N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine

C17H30N2 — CID 105346750

IUPACN-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine
SMILESCCNCC(C)c1ccc(CN(C)C(C)CC)cc1
InChIInChI=1S/C17H30N2/c1-6-15(4)19(5)13-16-8-10-17(11-9-16)14(3)12-18-7-2/h8-11,14-15,18H,6-7,12-13H2,1-5H3
InChIKeyJXLWCGGEKKZQBJ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.63
Rot. Bonds8

About N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine

N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine (PubChem CID 105346750) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine
PubChem CID105346750
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine
SMILESCCNCC(C)c1ccc(CN(C)C(C)CC)cc1
InChIInChI=1S/C17H30N2/c1-6-15(4)19(5)13-16-8-10-17(11-9-16)14(3)12-18-7-2/h8-11,14-15,18H,6-7,12-13H2,1-5H3
InChIKeyJXLWCGGEKKZQBJ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[[butan-2-yl(methyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346741
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 105346933
N-methyl-N-[[4-[1-(propylamino)propan-2-yl]phenyl]methyl]pentan-2-amine
CID 105347096
N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine
CID 105346832
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62413127
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
N-benzyl-N-methylbutan-2-amine
CID 15496809
2-[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]-N-ethylpropan-1-amine
CID 105347314
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350601

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine?
The IUPAC name of N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine (CID 105346750) is N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine is CCNCC(C)c1ccc(CN(C)C(C)CC)cc1.
What is the InChIKey of N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine?
The InChIKey is JXLWCGGEKKZQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-15(4)19(5)13-16-8-10-17(11-9-16)14(3)12-18-7-2/h8-11,14-15,18H,6-7,12-13H2,1-5H3.
What are the key properties of N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine?
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine is sourced from PubChem (CID 105346750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).