(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine

C14H16N2 — CID 135045429

IUPAC(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine
SMILESN[C@@H]1CC[C@H](N)c2ccc3ccccc3c21
InChIInChI=1S/C14H16N2/c15-12-7-8-13(16)14-10-4-2-1-3-9(10)5-6-11(12)14/h1-6,12-13H,7-8,15-16H2/t12-,13+/m0/s1
InChIKeyONOVEGTVMCRTNA-QWHCGFSZSA-N
MW212.30 g/mol
LogP2.63
Rot. Bonds

About (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine

(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine (PubChem CID 135045429) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine.

Molecular Properties

Compound Name(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine
PubChem CID135045429
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine
SMILESN[C@@H]1CC[C@H](N)c2ccc3ccccc3c21
InChIInChI=1S/C14H16N2/c15-12-7-8-13(16)14-10-4-2-1-3-9(10)5-6-11(12)14/h1-6,12-13H,7-8,15-16H2/t12-,13+/m0/s1
InChIKeyONOVEGTVMCRTNA-QWHCGFSZSA-N
XLogP2.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22665415
1-chloro-1H-cyclopropa[a]naphthalene
CID 67741182
1-cyclopropylnaphthalen-2-amine
CID 170561306
12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 633780
(1-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)methanamine
CID 141011121
pentacyclo[8.8.0.02,7.03,6.011,16]octadeca-1(10),2(7),8,11,13,15,17-heptaene
CID 174715167
2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345
2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-amine
CID 118876039
(12S)-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol
CID 24766854
(1R,2S,13R,14R)-pentacyclo[12.2.1.02,13.03,12.04,9]heptadeca-3(12),4,6,8,10,15-hexaene
CID 154715457
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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine?
The IUPAC name of (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine (CID 135045429) is (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine.
What is the SMILES notation for (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine?
The canonical SMILES for (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine is N[C@@H]1CC[C@H](N)c2ccc3ccccc3c21.
What is the InChIKey of (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine?
The InChIKey is ONOVEGTVMCRTNA-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H16N2/c15-12-7-8-13(16)14-10-4-2-1-3-9(10)5-6-11(12)14/h1-6,12-13H,7-8,15-16H2/t12-,13+/m0/s1.
What are the key properties of (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine?
(1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine has a molecular weight of 212.30 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-1,2,3,4-tetrahydrophenanthrene-1,4-diamine is sourced from PubChem (CID 135045429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).