N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

C19H34N2 — CID 105347185

IUPACN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCNCCc1ccc(CN(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C19H34N2/c1-6-20-12-11-18-7-9-19(10-8-18)15-21(13-16(2)3)14-17(4)5/h7-10,16-17,20H,6,11-15H2,1-5H3
InChIKeyRDCVIPUYDGEONG-UHFFFAOYSA-N
MW290.50 g/mol
LogP3.95
Rot. Bonds10

About N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine

N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 105347185) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
PubChem CID105347185
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
SMILESCCNCCc1ccc(CN(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C19H34N2/c1-6-20-12-11-18-7-9-19(10-8-18)15-21(13-16(2)3)14-17(4)5/h7-10,16-17,20H,6,11-15H2,1-5H3
InChIKeyRDCVIPUYDGEONG-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 105346845
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-(2-methoxyethyl)propan-2-amine
CID 105348193
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-ynylpropan-1-amine
CID 105348088
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
CID 105346685
4-[[bis(2-methylpropyl)amino]methyl]aniline
CID 23507481
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]cyclopropanamine
CID 105346884
2-(4-chlorophenyl)-N-ethylethanamine;hydrochloride
CID 69026677
[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
CID 112631179
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N,2-dimethylaniline
CID 105347402

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine (CID 105347185) is N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is CCNCCc1ccc(CN(CC(C)C)CC(C)C)cc1.
What is the InChIKey of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is RDCVIPUYDGEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-20-12-11-18-7-9-19(10-8-18)15-21(13-16(2)3)14-17(4)5/h7-10,16-17,20H,6,11-15H2,1-5H3.
What are the key properties of N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine?
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 105347185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).