N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine

C14H19Cl2NO — CID 103066835

IUPACN-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-10(8-17-14(2,3)4)9-18-12-7-5-6-11(15)13(12)16/h5-7,17H,1,8-9H2,2-4H3
InChIKeyQSINIENJZSFSRO-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.32
Rot. Bonds5

About N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine

N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine (PubChem CID 103066835) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
PubChem CID103066835
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC NameN-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-10(8-17-14(2,3)4)9-18-12-7-5-6-11(15)13(12)16/h5-7,17H,1,8-9H2,2-4H3
InChIKeyQSINIENJZSFSRO-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066836
N-tert-butyl-2-[(4-chloro-3,5-dimethylphenoxy)methyl]prop-2-en-1-amine
CID 103066935
2-[(4-bromo-2,5-dichlorophenoxy)methyl]-N-tert-butylprop-2-en-1-amine
CID 107659689
N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine
CID 103066735
N-[[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114319778
N-tert-butyl-2-[(2-chloro-5-nitrophenoxy)methyl]prop-2-en-1-amine
CID 103067268
N-tert-butyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066547
N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067187
N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine
CID 103066892
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
1-(2,3-dichlorophenoxy)-N,2-dimethylpropan-2-amine
CID 82131057
1-(2,3-dichlorophenoxy)-2-phenylpropan-2-ol
CID 55068242

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine (CID 103066835) is N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)COc1cccc(Cl)c1Cl.
What is the InChIKey of N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine?
The InChIKey is QSINIENJZSFSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-10(8-17-14(2,3)4)9-18-12-7-5-6-11(15)13(12)16/h5-7,17H,1,8-9H2,2-4H3.
What are the key properties of N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103066835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).