4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol

C14H18ClNO — CID 28661137

IUPAC4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNC(C1CC1)C1CC1
InChIInChI=1S/C14H18ClNO/c15-12-5-6-13(17)11(7-12)8-16-14(9-1-2-9)10-3-4-10/h5-7,9-10,14,16-17H,1-4,8H2
InChIKeyNLBXRTGEMFDGOA-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.32
Rot. Bonds5

About 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol

4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol (PubChem CID 28661137) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol
PubChem CID28661137
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNC(C1CC1)C1CC1
InChIInChI=1S/C14H18ClNO/c15-12-5-6-13(17)11(7-12)8-16-14(9-1-2-9)10-3-4-10/h5-7,9-10,14,16-17H,1-4,8H2
InChIKeyNLBXRTGEMFDGOA-UHFFFAOYSA-N
XLogP3.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[[[(1S)-1-cycloheptylethyl]amino]methyl]phenol
CID 81389866
2-[[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]methyl]-4-chlorophenol
CID 43095886
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929
2-[[(4-aminocyclohexyl)amino]methyl]-4-chlorophenol
CID 55062770
1,1-dicyclopropyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60788913
2-[(dicyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268211
4-chloro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 63278120
4-chloro-2-[(2-hydroxypropylamino)methyl]phenol
CID 43499358
4-chloro-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693366
4-chloro-2-[[(2-hydroxycyclohexyl)methylamino]methyl]phenol
CID 64928657
4-chloro-2-[[(2-methyloxolan-3-yl)amino]methyl]phenol
CID 82726060
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
CID 103270835

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol (CID 28661137) is 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol is Oc1ccc(Cl)cc1CNC(C1CC1)C1CC1.
What is the InChIKey of 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol?
The InChIKey is NLBXRTGEMFDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-5-6-13(17)11(7-12)8-16-14(9-1-2-9)10-3-4-10/h5-7,9-10,14,16-17H,1-4,8H2.
What are the key properties of 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol?
4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol has a molecular weight of 251.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(dicyclopropylmethylamino)methyl]phenol is sourced from PubChem (CID 28661137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).