(1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C19H29NO — CID 18652062

IUPAC(1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CC1)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
InChIInChI=1S/C19H29NO/c1-4-12-20(13-15-8-9-15)18-11-10-17-16(14(18)2)6-5-7-19(17)21-3/h5-7,14-15,18H,4,8-13H2,1-3H3/t14-,18+/m0/s1
InChIKeyNGCIUIANYZZDJI-KBXCAEBGSA-N
MW287.45 g/mol
LogP4.24
Rot. Bonds6

About (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

(1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 18652062) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID18652062
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CC1)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
InChIInChI=1S/C19H29NO/c1-4-12-20(13-15-8-9-15)18-11-10-17-16(14(18)2)6-5-7-19(17)21-3/h5-7,14-15,18H,4,8-13H2,1-3H3/t14-,18+/m0/s1
InChIKeyNGCIUIANYZZDJI-KBXCAEBGSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 18652062) is (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CC1CC1)[C@@H]1CCc2c(OC)cccc2[C@@H]1C.
What is the InChIKey of (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is NGCIUIANYZZDJI-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-12-20(13-15-8-9-15)18-11-10-17-16(14(18)2)6-5-7-19(17)21-3/h5-7,14-15,18H,4,8-13H2,1-3H3/t14-,18+/m0/s1.
What are the key properties of (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 18652062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).