2-chloro-5-(cyclopropylmethoxymethyl)aniline

C11H14ClNO — CID 43349982

IUPAC2-chloro-5-(cyclopropylmethoxymethyl)aniline
SMILESNc1cc(COCC2CC2)ccc1Cl
InChIInChI=1S/C11H14ClNO/c12-10-4-3-9(5-11(10)13)7-14-6-8-1-2-8/h3-5,8H,1-2,6-7,13H2
InChIKeyFJINYGSUHLFKHJ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-5-(cyclopropylmethoxymethyl)aniline

2-chloro-5-(cyclopropylmethoxymethyl)aniline (PubChem CID 43349982) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-5-(cyclopropylmethoxymethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-(cyclopropylmethoxymethyl)aniline
PubChem CID43349982
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-5-(cyclopropylmethoxymethyl)aniline
SMILESNc1cc(COCC2CC2)ccc1Cl
InChIInChI=1S/C11H14ClNO/c12-10-4-3-9(5-11(10)13)7-14-6-8-1-2-8/h3-5,8H,1-2,6-7,13H2
InChIKeyFJINYGSUHLFKHJ-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.85
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-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43169048
2-chloro-5-(methoxymethyl)aniline
CID 43349916
5-(1,3-benzodioxol-5-ylmethoxymethyl)-2-chloroaniline
CID 43349968
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117327701
2-bromo-5-(cyclopropylmethoxymethyl)phenol
CID 177057297
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
2-bromo-5-(oxolan-3-ylmethoxymethyl)aniline
CID 115557537
1-(cyclopropylmethoxymethyl)-4-iodobenzene;hydroiodide
CID 68767831
[3-chloro-4-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 102663600
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(cyclopropylmethoxymethyl)aniline?
The IUPAC name of 2-chloro-5-(cyclopropylmethoxymethyl)aniline (CID 43349982) is 2-chloro-5-(cyclopropylmethoxymethyl)aniline.
What is the SMILES notation for 2-chloro-5-(cyclopropylmethoxymethyl)aniline?
The canonical SMILES for 2-chloro-5-(cyclopropylmethoxymethyl)aniline is Nc1cc(COCC2CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(cyclopropylmethoxymethyl)aniline?
The InChIKey is FJINYGSUHLFKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-4-3-9(5-11(10)13)7-14-6-8-1-2-8/h3-5,8H,1-2,6-7,13H2.
What are the key properties of 2-chloro-5-(cyclopropylmethoxymethyl)aniline?
2-chloro-5-(cyclopropylmethoxymethyl)aniline has a molecular weight of 211.69 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cyclopropylmethoxymethyl)aniline is sourced from PubChem (CID 43349982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).