N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine

C25H21N3O2 — CID 154632627

IUPACN-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESCOc1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1
InChIInChI=1S/C25H21N3O2/c1-29-18-9-11-19(12-10-18)30-20-6-4-5-17(13-20)15-26-25-14-22-21-7-2-3-8-23(21)28-24(22)16-27-25/h2-14,16,28H,15H2,1H3,(H,26,27)
InChIKeyAIUSWZPWZJQIDR-UHFFFAOYSA-N
MW395.46 g/mol
LogP6.13
Rot. Bonds6

About N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine

N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 154632627) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
PubChem CID154632627
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
SMILESCOc1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1
InChIInChI=1S/C25H21N3O2/c1-29-18-9-11-19(12-10-18)30-20-6-4-5-17(13-20)15-26-25-14-22-21-7-2-3-8-23(21)28-24(22)16-27-25/h2-14,16,28H,15H2,1H3,(H,26,27)
InChIKeyAIUSWZPWZJQIDR-UHFFFAOYSA-N
XLogP6.13
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 56683452
N-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 154632632
N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide
CID 154632633
N-[(3-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56680103
[3-(4-methoxyphenoxy)phenyl]methylhydrazine
CID 53425280
N-[(3-fluorophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802193
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
N-[(4-methoxyphenyl)methyl]-9H-pyrido[2,3-b]indol-4-amine
CID 135060180
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
4-methoxy-N-[[3-(naphthalen-1-ylmethoxy)phenyl]methyl]aniline
CID 126124121

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine (CID 154632627) is N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine is COc1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is AIUSWZPWZJQIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-29-18-9-11-19(12-10-18)30-20-6-4-5-17(13-20)15-26-25-14-22-21-7-2-3-8-23(21)28-24(22)16-27-25/h2-14,16,28H,15H2,1H3,(H,26,27).
What are the key properties of N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine?
N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 395.46 g/mol, XLogP of 6.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 154632627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).