N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine

C22H30ClNO — CID 4722849

IUPACN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C22H30ClNO/c1-21(2,3)16-22(4,5)24-14-17-10-7-9-13-20(17)25-15-18-11-6-8-12-19(18)23/h6-13,24H,14-16H2,1-5H3
InChIKeyMJNITTNVSGTZOI-UHFFFAOYSA-N
MW359.94 g/mol
LogP6.22
Rot. Bonds7

About N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine

N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 4722849) has the molecular formula C22H30ClNO and a molecular weight of 359.94 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
PubChem CID4722849
Molecular FormulaC22H30ClNO
Molecular Weight359.94 g/mol
Exact Mass359.20
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C22H30ClNO/c1-21(2,3)16-22(4,5)24-14-17-10-7-9-13-20(17)25-15-18-11-6-8-12-19(18)23/h6-13,24H,14-16H2,1-5H3
InChIKeyMJNITTNVSGTZOI-UHFFFAOYSA-N
XLogP6.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.94
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331337
N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 2242368
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
2-[2-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenoxy]acetamide
CID 6459149
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721442
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17212690
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717039
5-chloro-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118257
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 834073
N-[(2-fluorophenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331476
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17055769

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine (CID 4722849) is N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine is CC(C)(C)CC(C)(C)NCc1ccccc1OCc1ccccc1Cl.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is MJNITTNVSGTZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClNO/c1-21(2,3)16-22(4,5)24-14-17-10-7-9-13-20(17)25-15-18-11-6-8-12-19(18)23/h6-13,24H,14-16H2,1-5H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine?
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 359.94 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 4722849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).