N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine

C18H30N2O — CID 115464114

IUPACN-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN(C)CC1CCOCC1
InChIInChI=1S/C18H30N2O/c1-3-19-11-8-17-6-4-5-7-18(17)15-20(2)14-16-9-12-21-13-10-16/h4-7,16,19H,3,8-15H2,1-2H3
InChIKeyGFPRRCXKKXJFSZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.70
Rot. Bonds8

About N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine

N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine (PubChem CID 115464114) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
PubChem CID115464114
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccccc1CN(C)CC1CCOCC1
InChIInChI=1S/C18H30N2O/c1-3-19-11-8-17-6-4-5-7-18(17)15-20(2)14-16-9-12-21-13-10-16/h4-7,16,19H,3,8-15H2,1-2H3
InChIKeyGFPRRCXKKXJFSZ-UHFFFAOYSA-N
XLogP2.70
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2-trifluoromethyl-benzyl)-amine
CID 11301893
biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 11450539
N-(1-phenylcyclohexyl)-3-ethoxypropanamine
CID 23584939
(R)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441340
(S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441341
(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
Benzyl-(3-morpholin-4-yl-propyl)-amine
CID 206108
1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 651922
[1-(2-Methylbenzyl)piperidin-4-yl]methylamine
CID 1259151
N-(3-Methoxypropyl)-1-phenylcyclohexanamine
CID 60209993
N-[(2,3-dimethylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 16730430
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine (CID 115464114) is N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine is CCNCCc1ccccc1CN(C)CC1CCOCC1.
What is the InChIKey of N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine?
The InChIKey is GFPRRCXKKXJFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-19-11-8-17-6-4-5-7-18(17)15-20(2)14-16-9-12-21-13-10-16/h4-7,16,19H,3,8-15H2,1-2H3.
What are the key properties of N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine?
N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 115464114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).