N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine

C17H27ClN2O — CID 81146788

IUPACN-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1COCCN1c1ccc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C17H27ClN2O/c1-5-14-12-21-9-8-20(14)16-7-6-13(10-15(16)18)11-19-17(2,3)4/h6-7,10,14,19H,5,8-9,11-12H2,1-4H3
InChIKeyJSQHGZGDZWEWAN-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.84
Rot. Bonds4

About N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 81146788) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID81146788
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCCC1COCCN1c1ccc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C17H27ClN2O/c1-5-14-12-21-9-8-20(14)16-7-6-13(10-15(16)18)11-19-17(2,3)4/h6-7,10,14,19H,5,8-9,11-12H2,1-4H3
InChIKeyJSQHGZGDZWEWAN-UHFFFAOYSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-methylbenzyl)-4-(4-morpholinyl)aniline
CID 882363
Phenethylamine, 3-chloro-4-piperidino-, hydrochloride
CID 3054966
(4-Chloro-benzyl)-(4-morpholin-4-yl-phenyl)-amine
CID 479129
Carbanilic acid, 2-chloro-6-methyl-, 2-piperidinoethyl ester, hydrochloride
CID 30038
1-(Propan-2-yl)piperidin-3-yl hydrogen (2-chloro-6-methylphenyl)carbonimidate--hydrogen chloride (1/1)
CID 35904
Carbanilic acid, 6-chloro-2-methyl-, N-tert-butyl-3-piperidinyl ester, hydrochloride
CID 35907
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylaniline
CID 29289496
N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
CID 29778371
N,N-dimethyl-4-({[3-(morpholin-4-yl)propyl]amino}methyl)aniline
CID 2979254
2-chloro-N-[2-(morpholin-4-yl)ethyl]aniline
CID 28581421
[3-Chloro-4-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 63087843
3-(2-Chlorophenyl)-1-{4-[(morpholin-4-YL)methyl]phenyl}thiourea
CID 3265475

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine (CID 81146788) is N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine is CCC1COCCN1c1ccc(CNC(C)(C)C)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is JSQHGZGDZWEWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-5-14-12-21-9-8-20(14)16-7-6-13(10-15(16)18)11-19-17(2,3)4/h6-7,10,14,19H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.87 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81146788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).