N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine

C19H34N2 — CID 79490766

IUPACN-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCNCc1ccc(CN(CC(C)C)C(CC)CC)cc1
InChIInChI=1S/C19H34N2/c1-6-19(7-2)21(14-16(4)5)15-18-11-9-17(10-12-18)13-20-8-3/h9-12,16,19-20H,6-8,13-15H2,1-5H3
InChIKeyYKXYFWXLEUHRDY-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.44
Rot. Bonds10

About N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine

N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine (PubChem CID 79490766) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine
PubChem CID79490766
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCNCc1ccc(CN(CC(C)C)C(CC)CC)cc1
InChIInChI=1S/C19H34N2/c1-6-19(7-2)21(14-16(4)5)15-18-11-9-17(10-12-18)13-20-8-3/h9-12,16,19-20H,6-8,13-15H2,1-5H3
InChIKeyYKXYFWXLEUHRDY-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281928
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462519
3-[4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 79491415
N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
CID 62412689
N-ethyl-5-[[2-methylpropyl(pentan-3-yl)amino]methyl]pyridin-2-amine
CID 79490493
5-(ethylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-2-amine
CID 79492000
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62018369
N-(2-methylpropyl)-N-pentan-3-yl-4-(propylaminomethyl)aniline
CID 79491395
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185
N-(2-methylpropyl)-N-[[5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79491008

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine (CID 79490766) is N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine is CCNCc1ccc(CN(CC(C)C)C(CC)CC)cc1.
What is the InChIKey of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine?
The InChIKey is YKXYFWXLEUHRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-19(7-2)21(14-16(4)5)15-18-11-9-17(10-12-18)13-20-8-3/h9-12,16,19-20H,6-8,13-15H2,1-5H3.
What are the key properties of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine?
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine has a molecular weight of 290.50 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 79490766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).