2-chloro-6-(phenylmethoxymethyl)aniline

C14H14ClNO — CID 14155410

IUPAC2-chloro-6-(phenylmethoxymethyl)aniline
SMILESNc1c(Cl)cccc1COCc1ccccc1
InChIInChI=1S/C14H14ClNO/c15-13-8-4-7-12(14(13)16)10-17-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyOJLGBKQFKVCOFL-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.64
Rot. Bonds4

About 2-chloro-6-(phenylmethoxymethyl)aniline

2-chloro-6-(phenylmethoxymethyl)aniline (PubChem CID 14155410) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-6-(phenylmethoxymethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-(phenylmethoxymethyl)aniline
PubChem CID14155410
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-chloro-6-(phenylmethoxymethyl)aniline
SMILESNc1c(Cl)cccc1COCc1ccccc1
InChIInChI=1S/C14H14ClNO/c15-13-8-4-7-12(14(13)16)10-17-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyOJLGBKQFKVCOFL-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(phenylmethoxymethyl)aniline
CID 43509269
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
CID 66734377
CID 66734377
4-(phenylmethoxymethyl)aniline
CID 11701294
[2-(phenylmethoxymethyl)phenyl]methanol
CID 54193166
ethane;phenylmethoxymethylbenzene
CID 90943549
3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
CID 112646463
[4-[(2-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
CID 103438617
4-[(2-chloro-3-fluorophenyl)methoxymethyl]aniline
CID 112651663
2-[(3-chlorophenyl)methoxymethyl]-6-nitroaniline
CID 107352414
2-[2-[(4-aminophenyl)methoxymethyl]phenyl]acetic acid
CID 115460495
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(phenylmethoxymethyl)aniline?
The IUPAC name of 2-chloro-6-(phenylmethoxymethyl)aniline (CID 14155410) is 2-chloro-6-(phenylmethoxymethyl)aniline.
What is the SMILES notation for 2-chloro-6-(phenylmethoxymethyl)aniline?
The canonical SMILES for 2-chloro-6-(phenylmethoxymethyl)aniline is Nc1c(Cl)cccc1COCc1ccccc1.
What is the InChIKey of 2-chloro-6-(phenylmethoxymethyl)aniline?
The InChIKey is OJLGBKQFKVCOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-13-8-4-7-12(14(13)16)10-17-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2.
What are the key properties of 2-chloro-6-(phenylmethoxymethyl)aniline?
2-chloro-6-(phenylmethoxymethyl)aniline has a molecular weight of 247.73 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(phenylmethoxymethyl)aniline is sourced from PubChem (CID 14155410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).