N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline

C19H26N2 — CID 43280633

IUPACN-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline
SMILESCCNCc1ccccc1N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H26N2/c1-4-20-14-18-12-8-9-13-19(18)21(16(2)3)15-17-10-6-5-7-11-17/h5-13,16,20H,4,14-15H2,1-3H3
InChIKeyAQWWAAWRYBZRQT-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.21
Rot. Bonds7

About N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline

N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline (PubChem CID 43280633) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline
PubChem CID43280633
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline
SMILESCCNCc1ccccc1N(Cc1ccccc1)C(C)C
InChIInChI=1S/C19H26N2/c1-4-20-14-18-12-8-9-13-19(18)21(16(2)3)15-17-10-6-5-7-11-17/h5-13,16,20H,4,14-15H2,1-3H3
InChIKeyAQWWAAWRYBZRQT-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 82960379
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190068
N-ethyl-2-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 61448906
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 63059826
[4-[benzyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 81237660
2-[benzyl(propan-2-yl)amino]benzonitrile
CID 29273370
2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline
CID 113388939
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline?
The IUPAC name of N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline (CID 43280633) is N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline.
What is the SMILES notation for N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline?
The canonical SMILES for N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline is CCNCc1ccccc1N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline?
The InChIKey is AQWWAAWRYBZRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-20-14-18-12-8-9-13-19(18)21(16(2)3)15-17-10-6-5-7-11-17/h5-13,16,20H,4,14-15H2,1-3H3.
What are the key properties of N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline?
N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline has a molecular weight of 282.43 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(ethylaminomethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 43280633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).