N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C18H20BrNO — CID 63492101

IUPACN-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc(OCCNC2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H20BrNO/c19-16-6-9-18(10-7-16)21-12-11-20-17-8-5-14-3-1-2-4-15(14)13-17/h1-4,6-7,9-10,17,20H,5,8,11-13H2
InChIKeyMKQNIWBRGMTGJL-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63492101) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63492101
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESBrc1ccc(OCCNC2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H20BrNO/c19-16-6-9-18(10-7-16)21-12-11-20-17-8-5-14-3-1-2-4-15(14)13-17/h1-4,6-7,9-10,17,20H,5,8,11-13H2
InChIKeyMKQNIWBRGMTGJL-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115572613
N-[3-[4-(4-bromophenyl)phenoxy]propyl]cyclopropanamine
CID 63515887
2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)ethanesulfonamide
CID 43777346
3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
CID 93026634
N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
N-decyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60669476
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692
6-bromo-N-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627115
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
N-(4-phenylmethoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15078242
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106127210
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63492101) is N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Brc1ccc(OCCNC2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is MKQNIWBRGMTGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-16-6-9-18(10-7-16)21-12-11-20-17-8-5-14-3-1-2-4-15(14)13-17/h1-4,6-7,9-10,17,20H,5,8,11-13H2.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 346.27 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63492101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).