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

C18H32N2 — CID 105346933

IUPACN-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCNCC(C)c1ccc(CN(C)CC(C)CC)cc1
InChIInChI=1S/C18H32N2/c1-6-15(3)13-20(5)14-17-8-10-18(11-9-17)16(4)12-19-7-2/h8-11,15-16,19H,6-7,12-14H2,1-5H3
InChIKeySJRSSAQHBSVGMP-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.88
Rot. Bonds9

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

N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine (PubChem CID 105346933) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine
PubChem CID105346933
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCNCC(C)c1ccc(CN(C)CC(C)CC)cc1
InChIInChI=1S/C18H32N2/c1-6-15(3)13-20(5)14-17-8-10-18(11-9-17)16(4)12-19-7-2/h8-11,15-16,19H,6-7,12-14H2,1-5H3
InChIKeySJRSSAQHBSVGMP-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105346925
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346750
N'-[(4-butan-2-ylphenyl)methyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115205898
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
CID 105347214
N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine
CID 105346832
2-[4-[[ethyl(methyl)amino]methyl]phenyl]-N-methylpropan-1-amine
CID 105346793
[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]boronic acid
CID 54970429
N-[[4-[[methyl(2-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 55136198
N-ethyl-N',2-dimethyl-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 62411635
[(4-butan-2-ylphenyl)methyl-methylamino]methanol
CID 115229112
2-[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]-N-ethylpropan-1-amine
CID 105347314
N,N'-dimethyl-N'-(2-methylbutyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 153390414

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine (CID 105346933) is N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine is CCNCC(C)c1ccc(CN(C)CC(C)CC)cc1.
What is the InChIKey of N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is SJRSSAQHBSVGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-15(3)13-20(5)14-17-8-10-18(11-9-17)16(4)12-19-7-2/h8-11,15-16,19H,6-7,12-14H2,1-5H3.
What are the key properties of N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine?
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 3.88, 9 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,2-dimethylbutan-1-amine is sourced from PubChem (CID 105346933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).