2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol

C16H26ClNO — CID 154877800

IUPAC2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol
SMILESCC(C)CC(CC(C)C)NCc1cccc(O)c1Cl
InChIInChI=1S/C16H26ClNO/c1-11(2)8-14(9-12(3)4)18-10-13-6-5-7-15(19)16(13)17/h5-7,11-12,14,18-19H,8-10H2,1-4H3
InChIKeyFZGFGXMHEFJEPA-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.60
Rot. Bonds7

About 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol

2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol (PubChem CID 154877800) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol
PubChem CID154877800
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol
SMILESCC(C)CC(CC(C)C)NCc1cccc(O)c1Cl
InChIInChI=1S/C16H26ClNO/c1-11(2)8-14(9-12(3)4)18-10-13-6-5-7-15(19)16(13)17/h5-7,11-12,14,18-19H,8-10H2,1-4H3
InChIKeyFZGFGXMHEFJEPA-UHFFFAOYSA-N
XLogP4.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-[[(3-methyl-1-pyridin-3-ylbutyl)amino]methyl]phenol
CID 131938141
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
2-N-[(3-chloro-2-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 114487462
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
2-[(1-aminoethylamino)methyl]phenol
CID 67733562
N-[[2-(difluoromethoxy)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 29272296
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 61240689
tert-butyl N-[(2-chloro-3-hydroxyphenyl)methyl]carbamate
CID 135396493
3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
CID 115644707
2-chloro-3-[[(4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl)amino]methyl]phenol
CID 154858039
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol?
The IUPAC name of 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol (CID 154877800) is 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol?
The canonical SMILES for 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol is CC(C)CC(CC(C)C)NCc1cccc(O)c1Cl.
What is the InChIKey of 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol?
The InChIKey is FZGFGXMHEFJEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-11(2)8-14(9-12(3)4)18-10-13-6-5-7-15(19)16(13)17/h5-7,11-12,14,18-19H,8-10H2,1-4H3.
What are the key properties of 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol?
2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol has a molecular weight of 283.84 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol is sourced from PubChem (CID 154877800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).