N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine

C18H22ClNO — CID 39431642

IUPACN-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine
SMILESCC(C)c1ccccc1OCCNCc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-14(2)16-8-4-6-10-18(16)21-12-11-20-13-15-7-3-5-9-17(15)19/h3-10,14,20H,11-13H2,1-2H3
InChIKeyVRZFOXJTGCKEOD-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.63
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine

N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine (PubChem CID 39431642) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine
PubChem CID39431642
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine
SMILESCC(C)c1ccccc1OCCNCc1ccccc1Cl
InChIInChI=1S/C18H22ClNO/c1-14(2)16-8-4-6-10-18(16)21-12-11-20-13-15-7-3-5-9-17(15)19/h3-10,14,20H,11-13H2,1-2H3
InChIKeyVRZFOXJTGCKEOD-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.63
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',N'-dimethyl-N-[2-(2-propan-2-ylphenoxy)ethyl]ethane-1,2-diamine
CID 62572472
3-(2-propan-2-ylphenoxy)propylhydrazine
CID 94681406
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208807
N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54796175
2-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 54853093
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
N-ethyl-5-(2-propan-2-ylphenoxy)pentan-1-amine
CID 55077101
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
N-benzyl-2-(4-bromo-2-propan-2-ylphenoxy)ethanamine
CID 115402837

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine (CID 39431642) is N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine is CC(C)c1ccccc1OCCNCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine?
The InChIKey is VRZFOXJTGCKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-14(2)16-8-4-6-10-18(16)21-12-11-20-13-15-7-3-5-9-17(15)19/h3-10,14,20H,11-13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine?
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 39431642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).