4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol

C13H18ClNO — CID 139020937

IUPAC4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
SMILESCCN(Cc1cc(O)ccc1Cl)CC1CC1
InChIInChI=1S/C13H18ClNO/c1-2-15(8-10-3-4-10)9-11-7-12(16)5-6-13(11)14/h5-7,10,16H,2-4,8-9H2,1H3
InChIKeyVMMODGQHYBHYKA-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.28
Rot. Bonds5

About 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol

4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol (PubChem CID 139020937) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
PubChem CID139020937
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
SMILESCCN(Cc1cc(O)ccc1Cl)CC1CC1
InChIInChI=1S/C13H18ClNO/c1-2-15(8-10-3-4-10)9-11-7-12(16)5-6-13(11)14/h5-7,10,16H,2-4,8-9H2,1H3
InChIKeyVMMODGQHYBHYKA-UHFFFAOYSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 63955917
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
N-[(2-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715535
5-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine
CID 63956306
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol
CID 86940060
N-[(2-chloro-6-fluorophenyl)methyl]-N-(cyclopropylmethyl)ethanamine
CID 86940190
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833
3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929
4-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481954
2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 86946251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol?
The IUPAC name of 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol (CID 139020937) is 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol is CCN(Cc1cc(O)ccc1Cl)CC1CC1.
What is the InChIKey of 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol?
The InChIKey is VMMODGQHYBHYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-2-15(8-10-3-4-10)9-11-7-12(16)5-6-13(11)14/h5-7,10,16H,2-4,8-9H2,1H3.
What are the key properties of 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol?
4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol has a molecular weight of 239.75 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol is sourced from PubChem (CID 139020937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).