N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine

C24H29NO — CID 59570725

IUPACN-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine
SMILESCOC(CCN(Cc1ccccc1)C(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C24H29NO/c1-19(2)25(18-20-9-5-4-6-10-20)16-15-24(26-3)23-14-13-21-11-7-8-12-22(21)17-23/h4-14,17,19,24H,15-16,18H2,1-3H3
InChIKeyUTCVPZGLLNXLLM-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.83
Rot. Bonds8

About N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine

N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine (PubChem CID 59570725) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine
PubChem CID59570725
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC NameN-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine
SMILESCOC(CCN(Cc1ccccc1)C(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C24H29NO/c1-19(2)25(18-20-9-5-4-6-10-20)16-15-24(26-3)23-14-13-21-11-7-8-12-22(21)17-23/h4-14,17,19,24H,15-16,18H2,1-3H3
InChIKeyUTCVPZGLLNXLLM-UHFFFAOYSA-N
XLogP5.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine (CID 59570725) is N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine is COC(CCN(Cc1ccccc1)C(C)C)c1ccc2ccccc2c1.
What is the InChIKey of N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine?
The InChIKey is UTCVPZGLLNXLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-19(2)25(18-20-9-5-4-6-10-20)16-15-24(26-3)23-14-13-21-11-7-8-12-22(21)17-23/h4-14,17,19,24H,15-16,18H2,1-3H3.
What are the key properties of N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine?
N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine has a molecular weight of 347.50 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxy-3-naphthalen-2-yl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 59570725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).