(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol

C13H21NO — CID 10774706

IUPAC(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
SMILESCCCC[C@H](CN)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-7-12(10-14)13(15)11-8-5-4-6-9-11/h4-6,8-9,12-13,15H,2-3,7,10,14H2,1H3/t12-,13+/m1/s1
InChIKeyDUKKHRIFLQADPP-OLZOCXBDSA-N
MW207.32 g/mol
LogP2.49
Rot. Bonds6

About (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol

(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol (PubChem CID 10774706) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
PubChem CID10774706
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
SMILESCCCC[C@H](CN)[C@@H](O)c1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-7-12(10-14)13(15)11-8-5-4-6-9-11/h4-6,8-9,12-13,15H,2-3,7,10,14H2,1H3/t12-,13+/m1/s1
InChIKeyDUKKHRIFLQADPP-OLZOCXBDSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-propylpentan-1-ol
CID 82987900
(1S)-1-phenylpentan-1-ol
CID 6992754
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
2-(aminomethyl)-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 79412165
(1R,2S)-2-(aminomethyl)-3-(dimethylamino)-1-phenylpropan-1-ol
CID 39869601
3-hexadecyl-2-phenylnonadecan-1-amine
CID 175285044
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
2-(aminomethyl)-1-(3-bromophenyl)pentan-1-ol
CID 79412864
(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol
CID 10930655
2-(aminomethyl)-1-[4-(dimethylamino)phenyl]pentan-1-ol
CID 79415929
(1S,2R,3S,4S)-2-butyl-1-phenylheptane-1,3,4-triol
CID 101411892
1,1-diphenylheptan-3-ol
CID 132530442

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol?
The IUPAC name of (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol (CID 10774706) is (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol.
What is the SMILES notation for (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol?
The canonical SMILES for (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol is CCCC[C@H](CN)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol?
The InChIKey is DUKKHRIFLQADPP-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-7-12(10-14)13(15)11-8-5-4-6-9-11/h4-6,8-9,12-13,15H,2-3,7,10,14H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol?
(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol is sourced from PubChem (CID 10774706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).