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

C18H27NO — CID 19761690

IUPACN-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CC1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C18H27NO/c1-3-11-19(13-14-7-8-14)16-9-10-17-15(12-16)5-4-6-18(17)20-2/h4-6,14,16H,3,7-13H2,1-2H3
InChIKeySFSMZEPSCOXCCW-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.67
Rot. Bonds6

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

N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 19761690) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID19761690
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CC1)C1CCc2c(cccc2OC)C1
InChIInChI=1S/C18H27NO/c1-3-11-19(13-14-7-8-14)16-9-10-17-15(12-16)5-4-6-18(17)20-2/h4-6,14,16H,3,7-13H2,1-2H3
InChIKeySFSMZEPSCOXCCW-UHFFFAOYSA-N
XLogP3.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 19761690) is N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CC1CC1)C1CCc2c(cccc2OC)C1.
What is the InChIKey of N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SFSMZEPSCOXCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-11-19(13-14-7-8-14)16-9-10-17-15(12-16)5-4-6-18(17)20-2/h4-6,14,16H,3,7-13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 19761690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).