(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol

C18H27NO — CID 103960164

IUPAC(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)CC1CC2CCC1C2
InChIInChI=1S/C18H27NO/c1-3-18(20)16-6-4-5-7-17(16)19(2)12-15-11-13-8-9-14(15)10-13/h4-7,13-15,18,20H,3,8-12H2,1-2H3/t13?,14?,15?,18-/m0/s1
InChIKeyOKMSTMQREILEHV-VLVBFLKRSA-N
MW273.42 g/mol
LogP4.00
Rot. Bonds5

About (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol

(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol (PubChem CID 103960164) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
PubChem CID103960164
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N(C)CC1CC2CCC1C2
InChIInChI=1S/C18H27NO/c1-3-18(20)16-6-4-5-7-17(16)19(2)12-15-11-13-8-9-14(15)10-13/h4-7,13-15,18,20H,3,8-12H2,1-2H3/t13?,14?,15?,18-/m0/s1
InChIKeyOKMSTMQREILEHV-VLVBFLKRSA-N
XLogP4.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol with MolForge

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Related Compounds

1-[2-[cyclopropylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678841
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63687901
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]propan-1-ol
CID 114245584
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]propan-1-ol
CID 112678972
(1S)-1-[4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63682288
1-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114950295
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
4-[[2-(1-hydroxypropyl)-N-methylanilino]methyl]oxan-4-ol
CID 114950338
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-(ethylaminomethyl)-N-methylaniline
CID 63682139

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol (CID 103960164) is (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N(C)CC1CC2CCC1C2.
What is the InChIKey of (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol?
The InChIKey is OKMSTMQREILEHV-VLVBFLKRSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-18(20)16-6-4-5-7-17(16)19(2)12-15-11-13-8-9-14(15)10-13/h4-7,13-15,18,20H,3,8-12H2,1-2H3/t13?,14?,15?,18-/m0/s1.
What are the key properties of (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol?
(1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 103960164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).