2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol

C18H20ClNO — CID 167828404

IUPAC2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1Cl)CC1(c2ccccc2)CC1
InChIInChI=1S/C18H20ClNO/c1-20(12-14-6-5-9-16(21)17(14)19)13-18(10-11-18)15-7-3-2-4-8-15/h2-9,21H,10-13H2,1H3
InChIKeyPYWCXASARGRVCD-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.21
Rot. Bonds5

About 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol

2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol (PubChem CID 167828404) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol
PubChem CID167828404
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1Cl)CC1(c2ccccc2)CC1
InChIInChI=1S/C18H20ClNO/c1-20(12-14-6-5-9-16(21)17(14)19)13-18(10-11-18)15-7-3-2-4-8-15/h2-9,21H,10-13H2,1H3
InChIKeyPYWCXASARGRVCD-UHFFFAOYSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol (CID 167828404) is 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol is CN(Cc1cccc(O)c1Cl)CC1(c2ccccc2)CC1.
What is the InChIKey of 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol?
The InChIKey is PYWCXASARGRVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-20(12-14-6-5-9-16(21)17(14)19)13-18(10-11-18)15-7-3-2-4-8-15/h2-9,21H,10-13H2,1H3.
What are the key properties of 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol?
2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol has a molecular weight of 301.82 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]phenol is sourced from PubChem (CID 167828404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).