2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine

C15H24ClNO — CID 65023767

IUPAC2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine
SMILESCC(C)CCOCCNCC(Cl)c1ccccc1
InChIInChI=1S/C15H24ClNO/c1-13(2)8-10-18-11-9-17-12-15(16)14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyKJWNRXRYZHPLDV-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.62
Rot. Bonds9

About 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine

2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine (PubChem CID 65023767) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine
PubChem CID65023767
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine
SMILESCC(C)CCOCCNCC(Cl)c1ccccc1
InChIInChI=1S/C15H24ClNO/c1-13(2)8-10-18-11-9-17-12-15(16)14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyKJWNRXRYZHPLDV-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
CID 61483773
N-[[2-(methoxymethyl)phenyl]methyl]-2-(3-methylbutoxy)ethanamine
CID 61483710
3-methyl-N-[2-(2-methylpropoxy)ethyl]-2-phenylbutan-1-amine
CID 107876435
3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905338
methyl 2-[2-(3-methylbutoxy)ethylamino]-2-phenylacetate
CID 62109331
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-N'-phenylpropane-1,3-diamine
CID 61483583
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
CID 175265120
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 109410841
ethylbenzene;3-methyl-1-(3-methylbutoxy)butane
CID 67286495
(1-chloro-7-methyloctyl)benzene
CID 83169221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine?
The IUPAC name of 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine (CID 65023767) is 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine.
What is the SMILES notation for 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine?
The canonical SMILES for 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine is CC(C)CCOCCNCC(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine?
The InChIKey is KJWNRXRYZHPLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-13(2)8-10-18-11-9-17-12-15(16)14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine?
2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine has a molecular weight of 269.82 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine is sourced from PubChem (CID 65023767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).